Structure of PDB 3u1r Chain A Binding Site BS04

Receptor Information
>3u1r Chain A (length=456) Species: 686394 (Flavobacterium sp. YS-80-122) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTSSAFTQVDNFSHFYDRGNHLVNGKPSFTVDQAADQLTRSGASWYDLNG
DGVINLSYTFLTSPPPGYASRGLGTFSSFSGLQKEQAKLSLESWADVAKV
TFTEGPAARGDDGHMTFANFSASNGGAAFAYLPNSSRKGESWYLINKDYD
VNKTPGEGNYGRQTLTHEIGHTLGLSHPGDYNPSYRDAVYGEDTRAYSVM
SYWSEKNTGQVFTKTGEGAYASAPLLDDIAAVQKLYGANMETRAGDTVYG
FNSTADRDYYSATSATDKLIFSVWDGGGNDTLDFSGFSQNQKINLAAGSF
SDVGGMTGNVSIAQGVTIENAIGGSGNDLLLGNAASNILKGGAGNDIIYG
GGGADKLWGGSGSDTFVYREVSDSTPKAADTLMDFQTGLDKIDLTGITHL
SGLNFVNAFTGQAGDAVVSYNQASNAGSLQVDFSGHGVADFLITTVGQVA
TYDIVA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3u1r Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3u1r Structure analysis of a new psychrophilic marine protease.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G302 D304 T341 E343
Binding residue
(residue number reindexed from 1)		G278 D280 T317 E319
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005509 calcium ion binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3u1r, PDBe:3u1r, PDBj:3u1r
PDBsum3u1r
PubMed22132082
UniProtD0VMS8

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