Structure of PDB 1fiz Chain A Binding Site BS02

Receptor Information
>1fiz Chain A (length=263) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGMSAEPGAWPWMVSLQIFMYHNNRRYHTCGGILLNSHWVLTAAHCFK
NKKKVTDWRLIFGANEVVWGSNKPVKPPLQERFVEEIIIHEKYVSGLEIN
DIALIKITPPVPCGPFIGPGCLPQFKAGPPRAPQTCWVTGWGYLKEKGPR
TSPTLQEARVALIDLELCNSTRWYNGRIRSTNVCAGYPRGKIDTCQGDSG
GPLMCRDRAENTFVVVGITSWGVGCARAKRPGVYTSTWPYLNWIASKIGS
NALQMVQLGTPPR
Ligand information
Ligand IDPBZ
InChIInChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKeyWPANETAWYGDRLL-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04N/C(c1ccc(N)cc1)=[NH2+]
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=[NH2+])N)N
CACTVS 3.341NC(=[NH2+])c1ccc(N)cc1
FormulaC7 H10 N3
NameP-AMINO BENZAMIDINE
ChEMBL
DrugBank
ZINC
PDB chain1fiz Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1fiz Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D189 T190 C191 Q192 W215 G216 G219
Binding residue
(residue number reindexed from 1)		D193 T194 C195 Q196 W221 G222 G224
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H47 D101 Q196 G197 D198 S199 G200
Enzyme Commision number 3.4.21.10: acrosin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1fiz, PDBe:1fiz, PDBj:1fiz
PDBsum1fiz
PubMed11080640
UniProtP08001|ACRO_PIG Acrosin (Gene Name=ACR)

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