Structure of PDB 5g09 Chain C Binding Site BS01

Receptor Information
>5g09 Chain C (length=468) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KINWEQVKEWDRKYLMRTFSTQNEYQPVPIESTEGDYLIMPDGTRLLDFF
NQLYCVNLGQKNQKVNAAIKEALDRYGFVWDTYATDYKAKAAKIIIEDIL
GDEDWPGKVRFVSTGSEAVETALNIARLYTNRPLVVTREHDYHGWTGGAA
TVTRLRSYRSGLVGENSESFSAQIPGSSYNSAVLMAPSPNMFQDSDGNLL
KDENGELLSVKYTRRMIENYGPEQVAAVITEVSQGAGSAMPPYEYIPQIR
KMTKELGVLWINDEVLTGFGRTGKWFGYQHYGVQPDIITMGKGLSSSSLP
AGAVLVSKEIAAFMDKHRWESVSTYAGHPVAMAAVCANLEVMMEENFVEQ
AKDSGEYIRSKLELLQEKHKSIGNFDGYGLLWIVDIVNAKTKTPYVKLDR
NFTHGMNPNQIPTQIIMKKALEKGVLIGGVMPNTMRIGASLNVSRGDIDK
AMDALDYALDYLESGEWQ
Ligand information
Ligand ID6DF
InChIInChI=1S/C16H19N2O5P/c1-11(13-6-4-3-5-7-13)18-9-15-14(10-23-24(20,21)22)8-17-12(2)16(15)19/h3-9,11,19H,10H2,1-2H3,(H2,20,21,22)/b18-9+/t11-/m1/s1
InChIKeyZBWJIKYNMPWLJE-PBFYJAPKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.5Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C)c2ccccc2)O
CACTVS 3.385C[C@@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.5Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O
FormulaC16 H19 N2 O5 P
Name[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000584904979
PDB chain5g09 Chain C Residue 1475 [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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PDB5g09 Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y60 G121 S122 Y148 H149 A242 D269 V271 L272 K298
Binding residue
(residue number reindexed from 1)		Y54 G115 S116 Y142 H143 A236 D263 V265 L266 K292
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y148 D269 K298
Catalytic site (residue number reindexed from 1) Y142 D263 K292
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5g09, PDBe:5g09, PDBj:5g09
PDBsum5g09
PubMed27428867
UniProtA0A1C7D190

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