Structure of PDB 6d5d Chain A Binding Site BS05

Receptor Information
>6d5d Chain A (length=627) Species: 1387557 (Caldicellulosiruptor danielii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGEYGQRFMWLWNKIHDPANGYFNQDGIPYHSVETLICEAPDYGHLTTSE
AFSYYVWLEAVYGKLTGDWSKFKTAWDTLEKYMIPSAEDQPMRSYDPNKP
ATYAGEWETPDKYPSPLEFNVPVGKDPLHNELVSTYGSTLMYGMHWLMDV
DNWYGYGKRGDGVSRASFINTFQRGPEESVWETVPHPSWEEFKWGGPNGF
LDLFIKDQNYSKQWRYTNAPDADARAIQATYWAKEWAKEQGKFNEISSYV
AKAAKMGDYLRYAMFDKYFKPLGCQDKNAAGGTGYDSAHYLLSWYYAWGG
ALDGAWSWKIGCSHAHFGYQNPMAAWALANDSDMKPKSPNGASDWAKSLK
RQIEFYRWLQSAEGAIAGGATNSWNGRYEKYPAGTATFYGMAYEPNPVYR
DPGSNTWFGFQAWSMQRVAEYYYVTGDKDAGALLEKWVSWIKSVVKLNSD
GTFAIPSTLDWSGQPDTWNGTYTGNPNLHVKVVDYGTDLGITASLANALL
YYSAATKKYGVFDEEAKNLAKELLDRMWKLYRDEKGLSAPEKRADYKRFF
EQEVYIPAGWTGKMPNGDVIKSGVKFIDIRSKYKQDPDWPKLEAAYKSGQ
VPEFRYHRFWAQCDIAIANATYEILFG
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 chain6d5d Chain A Residue 703 [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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PDB6d5d Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E193 E198 D417
Binding residue
(residue number reindexed from 1)		E177 E182 D401
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6d5d, PDBe:6d5d, PDBj:6d5d
PDBsum6d5d
PubMed
UniProtA0A4V8GZQ9

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