Structure of PDB 7ypn Chain D Binding Site BS01

Receptor Information
>7ypn Chain D (length=455) Species: 357400 (Caulobacter sp. D5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDIAELKRLDLAHHLPAFADHKVIAEQGGSRIITRAEGVYIHDGEGHQIL
DGWAGLFCVNVGYGREELAKAAYDQMLELPYYNTFFKTATPPPIELAAKI
AQKMGGHLSHVFYNSSGSEANDTVFRLVRHFWKLKGEPSRTVFISRWNAY
HGSTVAGVSLGGMKHMHKQGDLPIAGVEHVMQPYQFGDGFGEDPAAFRDR
AVQAIEDKILEVGPENVAAFIGEPVQGAGGVIIPPDGYWPAVEALCRKYG
ILLVCDEVACGFGRLGQWFGHQHYGIKPDLIAMAKGLSSGYLPISAVGVA
DHIVAELREKGGDFIHGFTYSGHPTAAAVALKNIEIMEREGLVERTRDET
GPYLAQALASLNDHPLVGEVRSLGLIGAVEIVREKGTNHRFLDKEGEAGP
IVRDLCIKNGLMVRAIRDSIVCCPPLIITKAQIDELVGIIRKSLDEAEPV
LRALK
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 chain7ypn Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ypn Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps.
Resolution2.049 Å
Binding residue
(original residue number in PDB)		F325 T326
Binding residue
(residue number reindexed from 1)		F318 T319
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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:7ypn, PDBe:7ypn, PDBj:7ypn
PDBsum7ypn
PubMed36300723
UniProtA0A318BC23

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