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(-) Description

Title :  CRYSTAL STRUCTURE OF IP3 3-K CALMODULIN BINDING REGION IN COMPLEX WITH CALMODULIN
 
Authors :  E. Franco-Echevarria, J. I. Banos-Sanz, B. Monterroso, A. Round, J. Sanz-Aparicio, B. Gonzalez
Date :  18 Jun 14  (Deposition) - 20 Aug 14  (Release) - 22 Oct 14  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.34
Chains :  Asym. Unit :  A,B
Biol. Unit 1:  A,B  (24x)
Keywords :  Transferase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  E. Franco-Echevarria, J. I. Banos-Sanz, B. Monterroso, A. Round, J. Sanz-Aparicio, B. Gonzalez
A New Calmodulin Binding Motif For Inositol 1, 4, 5- Trisphosphate 3-Kinase Regulation.
Biochem. J. V. 463 319 2014
PubMed-ID: 25101901  |  Reference-DOI: 10.1042/BJ20140757

(-) Compounds

Molecule 1 - INOSITOL-TRISPHOSPHATE 3-KINASE A
    Chains: B
    EC Number: 2.7.1.127
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PKLSLT
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Variant: ROSETTA PLYSS
    Expression System Vector Type: PLASMID
    Fragment: CALMODULIN BINDING REGION, RESIDUES 158-183
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: INOSITOL 1,4,5-TRISPHOSPHATE 3-KINASE A, IP3 3-KINASE A, IP3K A, INSP 3-KINASE A
 
Molecule 2 - CALMODULIN
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector: PET14B
    Expression System Vector Type: PLASMID
    Fragment: RESIDUES 2-149
    Organism Common: HUMAN
    Organism Scientific: HOMO SAPIENS
    Organism Taxid: 9606
    Synonym: CAM

 Structural Features

(-) Chains, Units

  12
Asymmetric Unit : AB
Biological Unit 1 (24x): AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 6)

Asymmetric Unit (2, 6)
No.NameCountTypeFull Name
1CA5Ligand/IonCALCIUM ION
2GOL1Ligand/IonGLYCEROL
Biological Unit 1 (1, 24)
No.NameCountTypeFull Name
1CA-1Ligand/IonCALCIUM ION
2GOL24Ligand/IonGLYCEROL

(-) Sites  (6, 6)

Asymmetric Unit (6, 6)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREASP A:21 , ASP A:23 , ASP A:25 , THR A:27 , GLU A:32 , HOH A:2011BINDING SITE FOR RESIDUE CA A1149
2AC2SOFTWAREASP A:57 , ASP A:59 , ASN A:61 , THR A:63 , GLU A:68 , HOH A:2030 , HOH A:2031BINDING SITE FOR RESIDUE CA A1150
3AC3SOFTWAREASP A:94 , ASP A:96 , ASN A:98 , TYR A:100 , GLU A:105 , HOH A:2049BINDING SITE FOR RESIDUE CA A1151
4AC4SOFTWAREASP A:130 , ASP A:132 , ASP A:134 , GLN A:136 , GLU A:141 , HOH A:2071BINDING SITE FOR RESIDUE CA A1152
5AC5SOFTWAREASP A:119 , HOH A:2060BINDING SITE FOR RESIDUE CA A1153
6AC6SOFTWARESER A:102 , GLU A:105 , HIS A:108 , HOH A:2049 , HOH A:2052 , HOH A:2055 , HOH A:2074BINDING SITE FOR RESIDUE GOL A1154

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (0, 0)

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

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4UPU)

(-) 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:145
                                                                                                                                                                                 
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhh.....eehhhhhhhhhhhh....hhhhhhhhhhhhh......eehhhhhhhhhhhh....hhhhhhhhhhhhh.....eehhhhhhhhhhhh....hhhhhhhhhhhhh......eehhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4upu A   4 QLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTA 148
                                    13        23        33        43        53        63        73        83        93       103       113       123       133       143     


Chain B from PDB  Type:PROTEIN  Length:19
                                                   
               SCOP domains ------------------- SCOP domains
               CATH domains ------------------- CATH domains
               Pfam domains ------------------- Pfam domains
         Sec.struct. author hhhhhhhhhhh........ Sec.struct. author
                 SAPs(SNPs) ------------------- SAPs(SNPs)
                    PROSITE ------------------- PROSITE
                 Transcript ------------------- Transcript
                 4upu B 165 NHWQKIRTMVNLPVISPFK 183
                                   174
   Legend:   → Mismatch (orange background)
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  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 4UPU)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (97, 100)

Asymmetric Unit(hide GO term definitions)

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  IP3KA_HUMAN | P23677
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 Related Entries

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

UniProtKB/Swiss-Prot
        CALM1_HUMAN | P0DP23: 1aji 1cdl 1cll 1cm1 1cm4 1ctr 1deg 1iwq 1j7o 1j7p 1k90 1k93 1l7z 1lvc 1nkf 1pk0 1qiv 1qiw 1s26 1sk6 1sw8 1up5 1wrz 1xfu 1xfv 1xfw 1xfx 1xfy 1xfz 1y6w 1yr5 1yrt 1yru 1zot 1zuz 2be6 2f3y 2f3z 2hf5 2i08 2jzi 2k0e 2k0f 2k0j 2k61 2kne 2kug 2kuh 2l53 2l7l 2lgf 2ll6 2ll7 2lqc 2lqp 2lv6 2m0j 2m0k 2m55 2mg5 2n27 2n6a 2n77 2n8j 2r28 2v01 2v02 2vay 2w73 2wel 2x0g 2y4v 3bya 3cln 3dve 3dvj 3dvk 3dvm 3evv 3ewt 3ewv 3g43 3hr4 3j41 3o77 3o78 3oxq 3sui 3uct 3ucw 3ucy 4bw7 4bw8 4byf 4dck 4djc 4gow 4jpz 4jq0 4l79 4lzx 4m1l 4ovn 4q57 4q5u 4umo 4v0c 5coc 5dbr 5dow 5dsu 5ggm 5i0i 5j03 5j8h 5k7l 5k8q 5vms 5wsu 5wsv
        CALM2_HUMAN | P0DP24: 1aji 1cdl 1cll 1cm1 1cm4 1ctr 1deg 1iwq 1j7o 1j7p 1k90 1k93 1l7z 1lvc 1nkf 1pk0 1qiv 1qiw 1s26 1sk6 1sw8 1up5 1xfu 1xfv 1xfw 1xfx 1xfy 1xfz 1y6w 1yr5 1yrt 1yru 1zot 1zuz 2be6 2f3y 2f3z 2hf5 2jzi 2k0e 2k0f 2k0j 2k61 2kne 2kug 2kuh 2l53 2lgf 2ll6 2ll7 2lqc 2lqp 2lv6 2m0j 2m0k 2m55 2mg5 2n27 2n6a 2n77 2n8j 2r28 2v01 2v02 2vay 2w73 2wel 2x0g 2y4v 3bya 3cln 3dve 3dvj 3dvk 3dvm 3ewt 3ewv 3g43 3hr4 3j41 3oxq 3sui 3uct 3ucw 3ucy 4bw7 4bw8 4byf 4dck 4djc 4gow 4jpz 4jq0 4l79 4lzx 4m1l 4ovn 4q57 4q5u 4umo 4v0c 5coc 5dbr 5dow 5dsu 5ggm 5i0i 5j03 5j8h 5k7l 5k8q 5vms 5wsu 5wsv
        CALM3_HUMAN | P0DP25: 1aji 1cdl 1cll 1cm1 1cm4 1ctr 1deg 1iwq 1j7o 1j7p 1k90 1k93 1l7z 1lvc 1nkf 1pk0 1qiv 1qiw 1s26 1sk6 1sw8 1up5 1xfu 1xfv 1xfw 1xfx 1xfy 1xfz 1y6w 1yr5 1yrt 1yru 1zot 1zuz 2be6 2f3y 2f3z 2hf5 2jzi 2k0e 2k0f 2k0j 2k61 2kne 2kug 2kuh 2l53 2lgf 2ll6 2ll7 2lqc 2lqp 2lv6 2m0j 2m0k 2m55 2mg5 2n27 2n6a 2n77 2n8j 2r28 2v01 2v02 2vay 2w73 2wel 2x0g 2y4v 3bya 3cln 3dve 3dvj 3dvk 3dvm 3ewt 3ewv 3g43 3hr4 3j41 3oxq 3sui 3uct 3ucw 3ucy 4bw7 4bw8 4byf 4dck 4djc 4gow 4jpz 4jq0 4l79 4lzx 4m1l 4ovn 4q57 4q5u 4umo 4v0c 5coc 5dbr 5dow 5dsu 5ggm 5i0i 5j03 5j8h 5k7l 5k8q 5vms 5wsu 5wsv
        IP3KA_HUMAN | P23677: 1w2c 1w2d 1w2f

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 4UPU)