Structure of PDB 6gwi Chain A Binding Site BS01

Receptor Information
>6gwi Chain A (length=449) Species: 768066 (Halomonas elongata DSM 2581) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTQDYQALDRAHHLHPFTDFKALGEEGSRVVTHAEGVYIHDSEGNRILDG
MAGLWCVNLGYGRRELVEAATAQLEQLPYYNTFFKTTHPPAVRLAEKLCD
LAPAHINRVFFTGSGSEANDTVLRMVRRYWALKGQPDKQWIIGRENAYHG
STLAGMSLGGMAPMHAQGGPCVPGIAHIRQPYWFGEGRDMSPEAFGQTCA
EALEEKILELGEEKVAAFIAEPVQGAGGAIMPPESYWPAVKKVLAKYDIL
LVADEVICGFGRLGEWFGSQHYGLEPDLMPIAKGLSSGYLPIGGVLVGDR
VAETLIEEGGEFFHGFTYSGHPTCAAVALKNLELLEAEGVVDRVRDDLGP
YLAERWASLVDHPIVGEARSLGLMGALELVADKTTGQRFDKSLGAGNLCR
DLCFANGLVMRSVGDTMIISPPLVIRREEIDELVELARRALDETARQLT
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 chain6gwi 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]
PDB6gwi Widely applicable background depletion step enables transaminase evolution through solid-phase screening.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S115 G116 S117 Y149 H150 G151 E222 D255 V257 I258 K284
Binding residue
(residue number reindexed from 1)		S114 G115 S116 Y148 H149 G150 E221 D254 V256 I257 K283
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F18 Y149 D255 K284
Catalytic site (residue number reindexed from 1) F17 Y148 D254 K283
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:6gwi, PDBe:6gwi, PDBj:6gwi
PDBsum6gwi
PubMed31360401
UniProtE1V913

[Back to BioLiP]