Structure of PDB 7p3t Chain B Binding Site BS01
Receptor Information
>7p3t Chain B (length=299) Species:
565045
(Luminiphilus syltensis NOR5-1B) [
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SDEPIIYINGDYLPLSQARVSPVDQGFLLGDGVFDVVSAWKGNIFKLDAH
LDRFFDSIQAARLNHDMSRDAWKEAIIETTRRNGLDDASIRFIVTRGEPK
GVVADPRDFKPTCIVWVAPYIFLADEEKRRNGIRLMISATRGFPADTLDP
RYKCLDRLHSQLIRLEALEAGYDDALWLDHSGHVSESAASNLFIVKNGVL
YTPSAGILRGITRDTILELATELDIPWKERQLSAFDVYIADEVFTCSTAG
GALPVREVAGRTIRGTTPGPITQAIDNAYWAMRETDRYATPLSGSHHHH
Ligand information
Ligand ID
PLP
InChI
InChI=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)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04
O=P(O)(O)OCc1cnc(c(O)c1C=O)C
Formula
C8 H10 N O6 P
Name
PYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBL
CHEMBL82202
DrugBank
DB00114
ZINC
ZINC000001532514
PDB chain
7p3t Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
7p3t
Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
R54 K154 R158 E187 S188 A189 A190 S191 G211 I212 T213 T249
Binding residue
(residue number reindexed from 1)
R53 K153 R157 E186 S187 A188 A189 S190 G210 I211 T212 T248
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.6.1.42
: branched-chain-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0008483
transaminase activity
GO:0052654
L-leucine-2-oxoglutarate transaminase activity
GO:0052655
L-valine-2-oxoglutarate transaminase activity
GO:0052656
L-isoleucine-2-oxoglutarate transaminase activity
Biological Process
GO:0019752
carboxylic acid metabolic process
GO:0046394
carboxylic acid biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:7p3t
,
PDBe:7p3t
,
PDBj:7p3t
PDBsum
7p3t
PubMed
34806715
UniProt
B8KQT8
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