Structure of PDB 4zm3 Chain D Binding Site BS01

Receptor Information
>4zm3 Chain D (length=387) Species: 68249 (Streptomyces pactum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVVRSAGGCLLRDVEDGEIIDLNMGYGPHLFGYADREVLDAVADQFAKGH
MTGLPHELDARAGALIAELVPGVEQVRFANSGTEAVASALRLARATTGRT
LVVTFEGHYHGWSETVLRAGKTALHMEDVVPGALGMIPEALAHTVQLGWN
DPDALRELFARDGDRIAAVIVEPVLANAGVIPPAPGFLQLLRELTGRSGA
MLVFDEVITGFRVARGGAQERYGVEPDLTVLSKVMGGGFPVAAFGGRRHA
MRMGNHAALRAVVAMLGKIRSLPDLYERLEDTGQYMEDTVREVFATEKRP
VHINRVGTLMSVALLKGSAEPSAEPRDLRQLAALVDFPRHRRLQTLAQKE
GVYFHPNALEPWFLSTAHTRDVIDKVAGALQRSLVGL
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 chain4zm3 Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zm3 Mechanism-Based Trapping of the Quinonoid Intermediate by Using the K276R Mutant of PLP-Dependent 3-Aminobenzoate Synthase PctV in the Biosynthesis of Pactamycin.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		S119 G120 T121 Y147 H148 E215 D248 V250 I251
Binding residue
(residue number reindexed from 1)		S81 G82 T83 Y109 H110 E172 D205 V207 I208
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y147 E215 D248 I251 K276 P417
Catalytic site (residue number reindexed from 1) Y109 E172 D205 I208 K233 P361
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:4zm3, PDBe:4zm3, PDBj:4zm3
PDBsum4zm3
PubMed26426567
UniProtA8R0K5

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