Structure of PDB 1zmt Chain A Binding Site BS01

Receptor Information
>1zmt 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 IDRNO
InChIInChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyYKIUTLHCSNCTDZ-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-]
OpenEye OEToolkits 1.5.0c1cc(ccc1C2CO2)[N+](=O)[O-]
CACTVS 3.341[O-][N+](=O)c1ccc(cc1)[CH]2CO2
CACTVS 3.341[O-][N+](=O)c1ccc(cc1)[C@@H]2CO2
ACDLabs 10.04[O-][N+](=O)c1ccc(cc1)C2OC2
FormulaC8 H7 N O3
Name(R)-PARA-NITROSTYRENE OXIDE;
(2R)-2-(4-NITROPHENYL)OXIRANE
ChEMBL
DrugBankDB04777
ZINCZINC000001020829
PDB chain1zmt Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zmt Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F86 S132 W139 Y145 F186
Binding residue
(residue number reindexed from 1)		F85 S131 W138 Y144 F185
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links