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(-) Description

Title :  CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES
 
Authors :  H. Kim, W. N. Lipscomb
Date :  15 Feb 90  (Deposition) - 15 Oct 91  (Release) - 24 Feb 09  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.00
Chains :  Asym./Biol. Unit :  A
Keywords :  Hydrolase (C-Terminal Peptidase) (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. Kim, W. N. Lipscomb
Crystal Structure Of The Complex Of Carboxypeptidase A With A Strongly Bound Phosphonate In A New Crystalline Form: Comparison With Structures Of Other Complexes.
Biochemistry V. 29 5546 1990
PubMed-ID: 2386784  |  Reference-DOI: 10.1021/BI00475A019
(for further references see the PDB file header)

(-) Compounds

Molecule 1 - CARBOXYPEPTIDASE A
    Chains: A
    EC Number: 3.4.17.1
    Engineered: YES
    Organism Common: CATTLE
    Organism Scientific: BOS TAURUS
    Organism Taxid: 9913

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

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

Asymmetric/Biological Unit (2, 2)
No.NameCountTypeFull Name
1ZAF1Ligand/IonO-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
2ZN1Ligand/IonZINC ION

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:69 , GLU A:72 , HIS A:196 , ZAF A:309BINDING SITE FOR RESIDUE ZN A 308
2AC2SOFTWAREGLU A:43 , ARG A:45 , HIS A:69 , ARG A:71 , GLU A:72 , ARG A:127 , ASN A:144 , ARG A:145 , GLU A:163 , HIS A:196 , SER A:197 , TYR A:198 , SER A:199 , ILE A:243 , TYR A:248 , ALA A:250 , GLU A:270 , PHE A:279 , ZN A:308 , HOH A:457 , HOH A:460BINDING SITE FOR RESIDUE ZAF A 309
3CATUNKNOWNZN A:308NULL

(-) SS Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1A:138 -A:161

(-) Cis Peptide Bonds  (3, 3)

Asymmetric/Biological Unit
No.Residues
1Ser A:197 -Tyr A:198
2Pro A:205 -Tyr A:206
3Arg A:272 -Asp A:273

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 6CPA)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 6CPA)

(-) Exons   (0, 0)

(no "Exon" information available for 6CPA)

(-) Sequences/Alignments

Asymmetric/Biological 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:307
                                                                                                                                                                                                                                                                                                                                                   
               SCOP domains d6cpaa_ A: Carboxypeptidase A                                                                                                                                                                                                                                                                                       SCOP domains
               CATH domains 6cpaA00 A:1-307 Zn peptidases                                                                                                                                                                                                                                                                                       CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .............hhhhhhhhhhhhhhh...eeeeeeee.......eeeeeee......eeeeeee......hhhhhhhhhhhhhhhhhh..hhhhhhhhh..eeeee...hhhhhhhhhhh..................................................hhhhhhhhhhhhhhh...eeeeee...eeeee..........hhhhhhhhhhhhhhhhh.......eee............hhhhhhhh...eeeeeee.............hhhhhhhhhhhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 6cpa A   1 ARSTNTFNYATYHTLDEIYDFMDLLVAQHPELVSKLQIGRSYEGRPIYVLKFSTGGSNRPAIWIDLGIHSREWITQATGVWFAKKFTENYGQNPSFTAILDSMDIFLEIVTNPNGFAFTHSENRLWRKTRSVTSSSLCVGVDANRNWDAGFGKAGASSSPCSETYHGKYANSEVEVKSIVDFVKNHGNFKAFLSIHSYSQLLLYPYGYTTQSIPDKTELNQVAKSAVAALKSLYGTSYKYGSIITTIYQASGGSIDWSYNQGIKYSFTFELRDTGRYGFLLPASQIIPTAQETWLGVLTIMEHTVNN 307
                                    10        20        30        40        50        60        70        80        90       100       110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       270       280       290       300
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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  (1, 1)

Asymmetric/Biological Unit
(-)
Class: Alpha and beta proteins (a/b) (23833)

(-) CATH Domains  (1, 1)

Asymmetric/Biological Unit
(-)
Class: Alpha Beta (26913)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 6CPA)

(-) Gene Ontology  (10, 10)

Asymmetric/Biological Unit(hide GO term definitions)

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  Cis Peptide Bonds
    Arg A:272 - Asp A:273   [ RasMol ]  
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    Ser A:197 - Tyr A:198   [ RasMol ]  
 

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 Related Entries

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

UniProtKB/Swiss-Prot
        CBPA1_BOVIN | P00730: 1arl 1arm 1bav 1cbx 1cps 1cpx 1ee3 1ell 1elm 1f57 1hdq 1hdu 1hee 1iy7 1m4l 1pyt 1yme 1zlh 2abz 2ctb 2ctc 2rfh 3cpa 3fvl 3fx6 3i1u 3kgq 4cpa 5cpa 7cpa 8cpa

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 6CPA)