Structure of PDB 8x1f Chain B Binding Site BS01

Receptor Information
>8x1f Chain B (length=322) Species: 341663 (Aspergillus terreus NIH2624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASMDKVFAGYAARQAILESTETTNPFAKGIAWVEGELVPLAEARIPLLD
QGFMHSDLTYDVPSVWDGRFFRLDDHLTRLEASCTKLRLRLPLPRDEVKQ
ILVEMVAKSGIRDAFVELIVTRGLKGVRGTRPEDIVNNLYMFVQPYVWVM
EPDMQRVGGSAVVARTVRRVPPGAIDPTVKNLQWGDLVRGMFEAADRGAT
YPFLTDGDANLTEGSGFNIVLVKDGVLYTPDRGVLQGVTRKSVINAAEAF
GIEVRVEFVPVELAYRCDEIFMCTTAGGIMPITTLDGMPVNGGQIGPITK
KIWDGYWAMHYDAAYSFEIDYN
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 chain8x1f Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8x1f Efficient bioamination with an w-transaminase mutant from Aspergillus terreus
Resolution2.3 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 score4
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
PDBsum8x1f
PubMed
UniProtQ0C8G1

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