Structure of PDB 8x1f Chain B Binding Site BS01
Receptor Information
>8x1f Chain B (length=322) Species:
341663
(Aspergillus terreus NIH2624) [
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MASMDKVFAGYAARQAILESTETTNPFAKGIAWVEGELVPLAEARIPLLD
QGFMHSDLTYDVPSVWDGRFFRLDDHLTRLEASCTKLRLRLPLPRDEVKQ
ILVEMVAKSGIRDAFVELIVTRGLKGVRGTRPEDIVNNLYMFVQPYVWVM
EPDMQRVGGSAVVARTVRRVPPGAIDPTVKNLQWGDLVRGMFEAADRGAT
YPFLTDGDANLTEGSGFNIVLVKDGVLYTPDRGVLQGVTRKSVINAAEAF
GIEVRVEFVPVELAYRCDEIFMCTTAGGIMPITTLDGMPVNGGQIGPITK
KIWDGYWAMHYDAAYSFEIDYN
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
8x1f Chain B Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
8x1f
Efficient bioamination with an w-transaminase mutant from Aspergillus terreus
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
R79 K180 E213 G216 F217 L235 G237 V238 T239 T275
Binding residue
(residue number reindexed from 1)
R79 K180 E213 G216 F217 L235 G237 V238 T239 T275
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0046872
metal ion binding
Biological Process
GO:0019752
carboxylic acid metabolic process
GO:0046394
carboxylic acid biosynthetic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:8x1f
,
PDBe:8x1f
,
PDBj:8x1f
PDBsum
8x1f
PubMed
UniProt
Q0C8G1
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