Structure of PDB 7kc7 Chain A Binding Site BS01

Receptor Information
>7kc7 Chain A (length=451) Species: 940 (Hydrogenobacter thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFKKVLVANRGEIACRVIRACKELGIQTVAIYNEIESTARHVKMADEAYM
IGVNPLDTYLNAERIVDLALEVGAEAIHPGYGFLAENEHFARLCEEKGIT
FIGPHWKVIELMGDKARSKEVMKRAGVPTVPGSDGILKDVEEAKRIAKEI
GYPVLLKASAGGGGRGIRISRNEEELVRNYENAYNEAVKAFGRGDLLLEK
YIENPKHIEFQVLGDKYGNVIHLGERDCSIQRRNQKLVEIAPSLLLTPEQ
REYYGSLVVKAAKEIGYYSAGTMEFIADEKGNLYFIEMNTRIQVEHPVTE
MITGVDIVKWQIRIAAGERLRYSQEDIRFNGYSIECRINAEDPKKGFAPS
IGTIERYYVPGGFGIRVEHASSKGYEITPYYDSLIAKLIVWAPLWEVAVD
RMRSALETYEISGVKTTIPLLINIMKDKDFRDGKFTTRYLEEHPHVFDYA
E
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7kc7 Chain A Residue 502 [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]
PDB7kc7 Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L155 K157 E199 Y201 I202 I276
Binding residue
(residue number reindexed from 1)		L155 K157 E199 Y201 I202 I276
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E274 E287 N289 E295 R337
Catalytic site (residue number reindexed from 1) E274 E287 N289 E295 R337
Enzyme Commision number 6.4.1.7: 2-oxoglutarate carboxylase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0034029 2-oxoglutarate carboxylase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7kc7, PDBe:7kc7, PDBj:7kc7
PDBsum7kc7
PubMed33464881
UniProtD3DJ42|2OCS_HYDTT 2-oxoglutarate carboxylase small subunit (Gene Name=cfiB)

[Back to BioLiP]