Structure of PDB 3tf4 Chain B Binding Site BS05

Receptor Information
>3tf4 Chain B (length=605) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPAFNYAEALQKSMFFYEAQRSGKLPENNRVSWRGDSGLNDGADVGLDLT
GGWYDAGDHVKFGFPMAFTATMLAWGAIESPEGYIRSGQMPYLKDNLRWV
NDYFIKAHPSPNVLYVQVGDGDADHKWWGPAEVMPMERPSFKVDPSCPGS
DVAAETAAAMAASSIVFADDDPAYAATLVQHAKQLYTFADTYRGVYSDCV
PAGAFYNSWSGYQDELVWGAYWLYKATGDDSYLAKAEYEYDFLSTEQQTD
LRSYRWTIAWDDKSYGTYVLLAKETGKQKYIDDANRWLDYWTVGVNGQRV
PYSPGGMAVLDTWGALRYAANTAFVALVYAKVIDDPVRKQRYHDFAVRQI
NYALGDNPRNSSYVVGFGNNPPRNPHHRTAHGSWTDSIASPAENRHVLYG
ALVGGPGSPNDAYTDDRQDYVANEVATDYNAGFSSALAMLVEEYGGTPLA
DFPPTEEPDGPEIFVEAQINTPGTTFTEIKAMIRNQSGWPARMLDKGTFR
YWFTLDEGVDPADITVSSAYNQCATPEDVHHVSGDLYYVEIDCTGEKIFP
GGQSEHRREVQFRIAGGPGWDPSNDWSFQGIGNELAPAPYIVLYDDGVPV
WGTAP
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 chain3tf4 Chain B Residue 3004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tf4 Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T504 D506 D571 N574 D575
Binding residue
(residue number reindexed from 1)		T504 D506 D571 N574 D575
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D55 D58 Y206 E424
Catalytic site (residue number reindexed from 1) D55 D58 Y206 E424
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3tf4, PDBe:3tf4, PDBj:3tf4
PDBsum3tf4
PubMed9334746
UniProtP26221|GUN4_THEFU Endoglucanase E-4 (Gene Name=celD)

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