Structure of PDB 6io1 Chain A Binding Site BS01

Receptor Information
>6io1 Chain A (length=447) Species: 309801 (Thermomicrobium roseum DSM 5159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VETWNAAELVAKDIAHHLHPLTNLYQLRREGPLVLVRGEGVWVWDAEGKR
YLDGFAGLWNVNIGHGRRELAEAAREQMERVAFVPTFFGLASPPTIELAA
RLAELFPGPLDHFQFTSGGAESNETAIKIARYYWWLKGQPERVKILSRRM
AYHGIAALSATGVPAYWEGFGPRPPGFIHLTAPYKYRFGEGLTDEEFVAR
LVQELEETIEREGSETIAAFIGEPVQGAGGVVVPPDGYWPAIAAVLRKYG
ILLILDEVITGFGRTGTLFGMQQYGVQPDIVTFAKGITSGYVPLGGVGVS
DEIAETLASADRVFMHGFTYSGHPVACAVALRNLDILLAERLWENAAASG
AYLLQELKRLEERPYVGEVRGKGLMLLVEVVRDKASKEKFPPEFKLGPKL
EAATRRRGIIVRCTPDGIVMAPPLTISRAECDVLIEGVAAALSDVLD
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain6io1 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6io1 Structural basis of substrate recognition by a novel thermostable (S)-enantioselective omega-transaminase from Thermomicrobium roseum.
Resolution1.803 Å
Binding residue
(original residue number in PDB)		F322 T323
Binding residue
(residue number reindexed from 1)		F318 T319
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L23 Y154 D260 K289
Catalytic site (residue number reindexed from 1) L21 Y152 D256 K285
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6io1, PDBe:6io1, PDBj:6io1
PDBsum6io1
PubMed31061438
UniProtB9L0K9

[Back to BioLiP]