Structure of PDB 5g2p Chain A Binding Site BS01

Receptor Information
>5g2p Chain A (length=461) Species: 1667 (Arthrobacter sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KINWEQVKEWDRKYLMRTFSTQNEYQPVPIESTEGDYLITPGGTRLLDFF
NQLCCVNLGQKNQKVNAAIKEALDRYGFVWDTYATDYKAKAAKIIIEDIL
GDEDWPGKVRFVSTGSEAVETALNIARLYTNRPLVVTREHDYHGWTGGAA
TVTRLRSFRSGLVGENSESFSAQIPGSSAVLMAPSSNTFQNYLKDENGEL
LSVKYTRRMIENYGPEQVAAVITEVSQGVGSTMPPYEYVPQIRKMTKELG
VLWISDEVLTGFGRTGKWFGYQHYGVQPDIITMGKGLSSSSLPAGAVVVS
KEIAAFMDKHRWESVSTYAGHPVAMAAVCANLEVMMEENLVEQAKNSGEY
IRSKLELLQEKHKSIGNFDGYGLLWIVDIVNAKTKTPYVKLDRNFRHGMN
PNQIPTQIIMEKALEKGVLIGGAMPNTMRIGASLNVSRGDIDKAMDALDY
ALDYLESGEWQ
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5g2p Chain A Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g2p Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Resolution1.89 Å
Binding residue
(original residue number in PDB)		G121 S122 Y148 H149 E237 D269 V271 K298
Binding residue
(residue number reindexed from 1)		G115 S116 Y142 H143 E224 D256 V258 K285
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y148 D269 K298
Catalytic site (residue number reindexed from 1) Y142 D256 K285
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:5g2p, PDBe:5g2p, PDBj:5g2p
PDBsum5g2p
PubMed27428867
UniProtA0A1C7D191

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