Structure of PDB 3zq9 Chain A Binding Site BS01

Receptor Information
>3zq9 Chain A (length=512) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTITIKVDTFKDRKPISPYIYGTNQDLAGDENMAARRLGGNRMTGYNWE
NNMSNAGSDWQQSSDNYLCSNGGLTQAECEKPGAVTTSFHDQSLKLGTYS
LVTLPMAGYVAKDGNGSVQESEAAPSARWNQVVNAKNAPFQLQPDLNDNY
VYVDEFVHFLVNKYGTASTKAGVKGYALDNEPALWSHTHPRIHGEKVGAK
ELVDRSVSLSKAVKAIDAGAEVFGPVLYGFGAYKDLQTAPDWDSVKGNYS
WFVDYYLDQMRLSSQVEGKRLLDVFDVHWYPEAMGGGIRITNEVGNDETK
KARMQAPRTLWDPTYKEDSWIAQWNSEFLPILPRLKQSVDKYYPGTKLAM
TEYSYGGENDISGGIAMTDVLGILGKNDVYMANYWKLKDGVNNYVSAAYK
LYRNYDGKNSTFGDTSVSAQTSDIVNSSVHASVTNASDKELHLVVMNKSM
DSAFDAQFDLSGAKTYISGKVWGFDKNSSQIKEAAPITQISGNRFTYTVP
PLTAYHIVLTTG
Ligand information
Ligand IDNOY
InChIInChI=1S/C6H13NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyBHOYFRIRWXBNHP-ARQDHWQXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(N1)O)O)O)CO
CACTVS 3.341OC[CH]1CN[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1CN[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(CNC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO
FormulaC6 H13 N O4
Name(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL
ChEMBL
DrugBank
ZINC
PDB chain3zq9 Chain A Residue 1519 [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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PDB3zq9 Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		G47 N48 N186 E187 E358 W391
Binding residue
(residue number reindexed from 1)		G41 N42 N180 E181 E352 W385
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.02,Ki=0.95uM
Enzymatic activity
Enzyme Commision number 3.2.1.151'
'3.2.1.4
External links