Structure of PDB 6k8h Chain A Binding Site BS01

Receptor Information
>6k8h Chain A (length=438) Species: 479434 (Sphaerobacter thermophilus DSM 20745) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNVYREPGSAAADLFERARRVLPGGNTRTTVYSAPYPPYAARGRGAVIVD
ADGEERLDFVNNYTALIHGHADPDINEAVIRQLADGVAFAMPTEHEIALA
ELLTERVPSLQQVRFTNSGTEAVMMAIKAARAYTGRPRIAKFDGCYHGSY
DFAEVSTQSSGKPGEDGFPVATPYTGGTPQAVLDSVVVLPFNDIDGTERL
IEQHRDELAAVLIDPNPRSLGLYPAEPAFLQRLREITRAYGIVLIFDEVI
SLRSDYGGMQSVLGVTPDLTAMGKIIGGGFPVGAVGGSAEVMSVFDPTGG
PPRAPHGGTFNANPVTMVAGLTAMRKLTPAEFDRLATLGQQLRAGVEEVL
REAGVPGQVTGYGSLFHIHLHQRPLADYRNSVLSAQERAFVGRVHEALMG
RGIFITPALFGCLSTPMGVPEVEAFVDAFAAALQDARG
Ligand information
Ligand IDPLR
InChIInChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRBCOYOYDYNXAFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C)C
OpenEye OEToolkits 1.5.0Cc1c(cnc(c1O)C)COP(=O)(O)O
FormulaC8 H12 N O5 P
Name(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
4'-DEOXYPYRIDOXINE PHOSPHATE
ChEMBLCHEMBL1235333
DrugBank
ZINCZINC000001656021
PDB chain6k8h Chain A Residue 501 [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]
PDB6k8h Structural insights into the enzyme specificity of a novel omega-transaminase from the thermophilic bacterium Sphaerobacter thermophilus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G127 T128 H155 D255 V257 I258 K282
Binding residue
(residue number reindexed from 1)		G119 T120 H147 D247 V249 I250 K274
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N34 Y154 D222 D255 I258 K282 C420
Catalytic site (residue number reindexed from 1) N26 Y146 D214 D247 I250 K274 C412
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:6k8h, PDBe:6k8h, PDBj:6k8h
PDBsum6k8h
PubMed31560999
UniProtD1C218

[Back to BioLiP]