Structure of PDB 7ypn Chain B Binding Site BS01

Receptor Information
>7ypn Chain B (length=454) 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
LRAL
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)		S123 G124 S125 Y157 G159 E230 D263 V265 K292
Binding residue
(residue number reindexed from 1)		S116 G117 S118 Y150 G152 E223 D256 V258 K285
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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