Structure of PDB 1pwz Chain A Binding Site BS02

Receptor Information
>1pwz Chain A (length=252) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQL
KPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAV
EALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAG
ACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAH
VKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPG
MP
Ligand information
Ligand IDRSO
InChIInChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
InChIKeyAWMVMTVKBNGEAK-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C1O[CH]1c2ccccc2
ACDLabs 10.04O2C(c1ccccc1)C2
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H]2CO2
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CO2
CACTVS 3.341C1O[C@@H]1c2ccccc2
FormulaC8 H8 O
NameR-STYRENE OXIDE
ChEMBLCHEMBL1235743
DrugBankDB04499
ZINCZINC000000901251
PDB chain1pwz Chain A Residue 256 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pwz Structure and Mechanism of a Bacterial Haloalcohol Dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S132 W139 Y145 F186
Binding residue
(residue number reindexed from 1)		S131 W138 Y144 F185
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links