Structure of PDB 4jjj Chain A Binding Site BS19

Receptor Information
>4jjj Chain A (length=636) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYDQAFLEQYEKIKDPASGYFREFNGLLVPYHSVETMIVEAPDHGHQTTS
EAFSYYLWLEAYYGRVTGDWKPLHDAWESMETFIIPGTKDQPTNSAYNPN
SPATYIPEQPNADGYPSPLMNNVPVGQDPLAQELSSTYGTNEIYGMHWLL
DVDNVYGFGFCGDGTDDAPAYINTYQRGARESVWETIPHPSCDDFTHGGP
NGYLDLFTDDQNYAKQWRYTNAPNADARAVQVMFWAHEWAKEQGKENEIA
GLMDKASKMGDYLRYAMFDKYFKKIGNCVGATSCPGGQGKDSAHYLLSWY
YSWGGSLDSAWAWRIGSSSSHQGYQNVLAAYALSQVPELQPDSPTGVQDW
ATSFDRQLEFLQWLQSAEGGIAGGATNSWKGSYDTPPTGLSQFYGMYYDW
QPVWNDPPSNNWFGFQVWNMERVAQLYYVTGDARAEAILDKWVPWAIQHT
DVDADNGGQNFQVPSDLEWSGQPDTWTGTYTGNPNLHVQVVSYSQDVGVT
AALAKTLMYYAKRSGDTTALATAEGLLDALLAHRDSIGIATPEQPSWDRL
DDPWDGSEGLYVPPGWSGTMPNGDRIEPGATFLSIRSFYKNDPLWPQVEA
HLNDPQNVPAPIVERHRFWAQVEIATAFAAHDELFG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4jjj Chain A Residue 722 [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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PDB4jjj Cel48A from Thermobifida fusca: structure and site directed mutagenesis of key residues.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Q461 H535
Binding residue
(residue number reindexed from 1)		Q459 H533
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
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:4jjj, PDBe:4jjj, PDBj:4jjj
PDBsum4jjj
PubMed24264519
UniProtQ47NH7

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