Structure of PDB 2vtc Chain B Binding Site BS01

Receptor Information
>2vtc Chain B (length=228) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGQVQNFTINGQYNQGFILDYYYQKQNTGHFPNVAGWYAEDLDLGFISPD
QYTTPDIVCHKNAAPGAISATAAAGSNIVFQWGPGVWPHPYGPIVTYVVE
CSGSCTTVNKNNLRWVKIQEAGINYNTQVWAQQDLINQGNKWTVKIPSSL
RPGNYVFRHELLAAHGASSANGMQNYPQCVNIAVTGSGTKALPAGTPATQ
LYKPTDPGILFNPYTTITSYTIPGPALW
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain2vtc Chain B Residue 1231 [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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PDB2vtc The First Structure of a Glycoside Hydrolase Family 61 Member, Cel61B from the Hypocrea Jecorina, at 1.6 A Resolution.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H1 H89 Y176
Binding residue
(residue number reindexed from 1)		H1 H89 Y176
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
External links
PDB RCSB:2vtc, PDBe:2vtc, PDBj:2vtc
PDBsum2vtc
PubMed18723026
UniProtQ7Z9M7|LP9B_HYPJQ AA9 family lytic polysaccharide monooxygenase cel61B (Gene Name=cel61b)

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