Structure of PDB 1fiw Chain A Binding Site BS03

Receptor Information
>1fiw Chain A (length=260) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIGGQDAAHGAWPWMVSLQIFTYHNNRRYHVCGGSLLNSQWLLTAAHCFR
IKKKVTDWRLIFGAKEVEWGTNKPVKPPLQERYVEKIIIHEKYSASSEAN
DIALMKITPPVTCGHFIGPGCLPQFRAGPPRVPQTCWVAGWGFLQENARR
TSPMLQEARVDLIDLGLCNSTRWYNGRIRSTNVCAGYPEGKIDTCQGDSG
GPLMCKDSAENSYVVVGITSWGVGCARAKRPGVYTSTWSYLNWIASKIGS
TAVHMIQLPT
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 chain1fiw Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fiw Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D189 T190 Q192 W215 G216 G219 C220
Binding residue
(residue number reindexed from 1)		D193 T194 Q196 W221 G222 G224 C225
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:0004040 amidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005537 D-mannose binding
GO:0008236 serine-type peptidase activity
GO:0042806 fucose binding
Biological Process
GO:0006508 proteolysis
GO:0007190 activation of adenylate cyclase activity
GO:0007338 single fertilization
GO:0007340 acrosome reaction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1fiw, PDBe:1fiw, PDBj:1fiw
PDBsum1fiw
PubMed11080640
UniProtQ9GL10|ACRO_SHEEP Acrosin (Fragment) (Gene Name=ACR)

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