Structure of PDB 3ii1 Chain A Binding Site BS02

Receptor Information
>3ii1 Chain A (length=522) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQNPSVTISVNANAGRHPINPAVYGLAYATTATLADLNVPLHRYGGNNT
SRYNWQLNADNRGADWYFESIGEASSVAGERGDTFIANSQAAGAQAMITI
PTIGWVARLGANRSKLASFSIAKYGAQSGNDWQWFPDAGNGVLTSGQNVT
GNNPNDANTLVDSTFQQGWAQHLVSQWGTAAGGGLRYYILDNEPSIWFST
HRDVHPVGPTMDEIRDKMLDYGAKIKTVDPSALIVGPEEWGWSGYTLSGY
DQQYGGLHGWSFMPDRNNHGGWDYLPWLLDQLRQNNLSTGRRLLDVFSVH
YYPQGGEFGNDTSSAMQLRRNRSTRSLWDPNYIDETWINDKVQLIPRLKN
WVSTYYPGTLTAITEYNWGAESHINGATTQADILGIFGREGLDMAARWTT
PDTATPTYKAIKMYRNYDGNKSAFGDTSVTATAPNPDNVSAFAAVRSSDG
ALTVMVINKYLSGNTPATINLSNFTAQAQAQVWQLTAANTINHLSNVSLS
GSSLSLTLPAQSVTLLVIPAST
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 chain3ii1 Chain A Residue 571 [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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PDB3ii1 Structural characterization of the bifunctional glucanase-xylanase CelM2 reveals the metal effect and substrate-binding moiety
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H233 E241
Binding residue
(residue number reindexed from 1)		H205 E213
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
External links