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(-) Description

Title :  INADL PDZ3 IN COMPLEX WITH A PHAGE-DERIVED PEPTIDE
 
Authors :  B. A. Appleton, C. Wiesmann
Date :  09 Apr 14  (Deposition) - 10 Sep 14  (Release) - 26 Nov 14  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.00
Chains :  Asym. Unit :  A,B,C,D,E,F
Biol. Unit 1:  A,B  (1x)
Biol. Unit 2:  C,D  (1x)
Biol. Unit 3:  E,F  (1x)
Keywords :  Pdz, Protein Binding (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  A. Ernst, B. A. Appleton, Y. Ivarsson, Y. Zhang, D. Gfeller, C. Wiesmann, S. S. Sidhu
A Structural Portrait Of The Pdz Domain Family.
J. Mol. Biol. V. 426 3509 2014
PubMed-ID: 25158098  |  Reference-DOI: 10.1016/J.JMB.2014.08.012

(-) Compounds

Molecule 1 - INAD-LIKE PROTEIN
    Chains: A, B, C, D, E, F
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Taxid: 562
    Fragment: UNP RESIDUES 362-452
    Gene: INADL, PATJ
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: INADL PROTEIN, HINADL, PALS1-ASSOCIATED TIGHT JUNCTION PROTEIN, PROTEIN ASSOCIATED TO TIGHT JUNCTIONS

 Structural Features

(-) Chains, Units

  123456
Asymmetric Unit : ABCDEF
Biological Unit 1 (1x): AB    
Biological Unit 2 (1x):   CD  
Biological Unit 3 (1x):     EF

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (1, 6)

Asymmetric Unit (1, 6)
No.NameCountTypeFull Name
1EDO6Ligand/Ion1,2-ETHANEDIOL
Biological Unit 1 (1, 1)
No.NameCountTypeFull Name
1EDO1Ligand/Ion1,2-ETHANEDIOL
Biological Unit 2 (0, 0)
No.NameCountTypeFull Name
1EDO-1Ligand/Ion1,2-ETHANEDIOL
Biological Unit 3 (1, 5)
No.NameCountTypeFull Name
1EDO5Ligand/Ion1,2-ETHANEDIOL

(-) Sites  (6, 6)

Asymmetric Unit (6, 6)
No.NameEvidenceResiduesDescription
1AC1SOFTWARETRP A:456 , TYR B:383 , GLY B:428 , PHE B:429 , HOH B:2120BINDING SITE FOR RESIDUE EDO B 2001
2AC2SOFTWAREARG E:370 , LEU E:438 , HOH E:616 , ILE F:460BINDING SITE FOR RESIDUE EDO E 501
3AC3SOFTWARETYR E:383 , ILE E:395 , GLY E:428 , PHE E:429 , ALA E:430 , HOH E:644 , TRP F:456BINDING SITE FOR RESIDUE EDO E 502
4AC4SOFTWAREASN E:365 , ALA E:420 , ASP E:422 , GLY E:423 , HIS E:446 , LEU E:447 , THR E:448 , HOH E:645BINDING SITE FOR RESIDUE EDO E 503
5AC5SOFTWAREPRO E:402 , HOH F:607 , HOH F:625BINDING SITE FOR RESIDUE EDO F 501
6AC6SOFTWARETRP E:456 , TYR F:383 , ILE F:395 , PHE F:429BINDING SITE FOR RESIDUE EDO F 502

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4Q2N)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4Q2N)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4Q2N)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4Q2N)

(-) Exons   (0, 0)

(no "Exon" information available for 4Q2N)

(-) Sequences/Alignments

Asymmetric Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:93
                                                                                                                             
               SCOP domains --------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeeeeee........eeeee...eeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhhh...eeeeeeeeee..eeee. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------- Transcript
                 4q2n A 359 SHMETYNVELVRKDGQSLGIRIVGYSGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   368       378    || 397       407       417       427       437       447       457   
                                                  383|                                                                   
                                                   393                                                                   


Chain B from PDB  Type:PROTEIN  Length:99
                                                                                                                                   
               SCOP domains --------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeeeee......eeeeee..........eeeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhhh...eeeeeeeee...eeee. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------- Transcript
                 4q2n B 360 HMETYNVELVRKQSLGIRIVGYVGTSHTGEASGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   369 ||    381       391       401       411       421       431       441       451         
                                     371|                                                                                      
                                      374                                                                                      


Chain C from PDB  Type:PROTEIN  Length:90
                                                                                                                          
               SCOP domains ------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author .eeeeeeeee......eeeee...eeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhhh...eeeeeeeee...eeee. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------ Transcript
                 4q2n C 360 HMETYNVELVRKQSLGIRIVGYSGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   369 ||    381 ||    400       410       420       430       440       450       460
                                     371|      383|                                                                   
                                      374       393                                                                   


Chain D from PDB  Type:PROTEIN  Length:95
                                                                                                                               
               SCOP domains ----------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeeeeeee......eeeeee....eeeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhhh...eeeeeeeeee..eeee. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------- Transcript
                 4q2n D 358 GSHMETYNVELVRKQSLGIRIVGYVGASGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   367   ||  379     ||395       405       415       425       435       445       455     
                                       371|        385|                                                                    
                                        374         392                                                                    


Chain E from PDB  Type:PROTEIN  Length:97
                                                                                                                                 
               SCOP domains ------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeeeeee........eeeeee.....eeeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhh....eeeeeeeeee..eeee. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------- Transcript
                 4q2n E 359 SHMETYNVELVRKDGQSLGIRIVGYVGTASGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   368       378       393       403       413       423       433       443       453       
                                                     386|                                                                    
                                                      392                                                                    


Chain F from PDB  Type:PROTEIN  Length:98
                                                                                                                                  
               SCOP domains -------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeeeeee........eeeeee......eeeeeee...hhhhhhh......eeeee..ee....hhhhhhhhhhhh..eeeeeeeeee..eeee. Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------- Transcript
                 4q2n F 359 SHMETYNVELVRKDGQSLGIRIVGYVGTSASGIYVKSIIPGSAAYHNGHIQVNDKIVAVDGVNIQGFANHDVVEVLRNAGQVVHLTLVRRGGGWFLDI 460
                                   368       378       392       402       412       422       432       442       452        
                                                      387|                                                                    
                                                       392
   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
    → Modified Residue (blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4Q2N)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4Q2N)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4Q2N)

(-) Gene Ontology  (13, 13)

Asymmetric Unit(hide GO term definitions)

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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        INADL_HUMAN | Q8NI35: 1vf6 2d92 2daz 2db5 2dlu 2dm8 2dmz 2ehr

(-) Related Entries Specified in the PDB File

4q2o 4q2p 4q2q