Structure of PDB 4zm4 Chain C Binding Site BS01

Receptor Information
>4zm4 Chain C (length=417) Species: 68249 (Streptomyces pactum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNAESLDGIKSVIAGGVSSSMRAAAVPLPLVVRSAGGCLLRDVEDGEIID
LNMGYGPHLFGYADREVLDAVADQFAKGHMTGLPHELDARAGALIAELVP
GVEQVRFANSGTEAVASALRLARATTGRTLVVTFEGHYHGWSETVLRARP
TDVVPGALGMIPEALAHTVQLGWNDPDALRELFARDGDRIAAVIVEPVLA
NAGVIPPAPGFLQLLRELTGRSGAMLVFDEVITGFRVARGGAQERYGVEP
DLTVLSRVMGGGFPVAAFGGRRHAMRMLASNEAHHAGVYAGNHAALRAVV
AMLGKIRSLPDLYERLEDTGQYMEDTVREVFATEKRPVHINRVGTLMSVA
LLKEPRDLRQLAALVDFPRHRRLQTLAQKEGVYFHPNALEPWFLSTAHTR
DVIDKVAGALQRSLVGL
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 chain4zm4 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zm4 Mechanism-Based Trapping of the Quinonoid Intermediate by Using the K276R Mutant of PLP-Dependent 3-Aminobenzoate Synthase PctV in the Biosynthesis of Pactamycin.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S119 G120 T121 Y147 E215 N220 D248 V250 R276
Binding residue
(residue number reindexed from 1)		S110 G111 T112 Y138 E196 N201 D229 V231 R257
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V26 Y147 E215 D248 I251 R276 P417
Catalytic site (residue number reindexed from 1) V17 Y138 E196 D229 I232 R257 P391
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4zm4, PDBe:4zm4, PDBj:4zm4
PDBsum4zm4
PubMed26426567
UniProtA8R0K5

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