Structure of PDB 7fj8 Chain A Binding Site BS01

Receptor Information
>7fj8 Chain A (length=395) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYKIMAINAGSSSLKFQLLNMPQGALLCQGLIERIGLPEARFTLKTSAQK
WQETLPIADHHEAVTLLLEALTGRGILSSLQEIDGVGHRVAHGGERFKDA
ALVCDDTLREIERLAELAPLHNPVNALGIRLFRQLLPAVPAVAVFDTAFH
QTLAPEAWLYPLPWRYYAELGIRRYGFHGTSHHYVSSALAEKLGVPLSAL
RVVSCHLGNGCSVCAIKGGQSVNTSMGFTPQSGVMMGTRSGDIDPSILPW
LVEKEGKSAQQLSQLLNNESGLLGVSGVSSDYRDVEQAADAGNERAALAL
SLFAERIRATIGSYIMQMGGLDALIFTGGIGENSARARAAICRNLHFLGL
ALDDEKNQRSATFIQADNALVKVAVINTNEELMIARDVMRLALPQ
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain7fj8 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]
PDB7fj8 KpAckA (PduW) with AMP complex structure
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G209 N210 D282 Y283 R284 G330 I331 N334
Binding residue
(residue number reindexed from 1)		G208 N209 D281 Y282 R283 G329 I330 N333
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.2.15: propionate kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008776 acetate kinase activity
GO:0008980 propionate kinase activity
GO:0016301 kinase activity
GO:0016774 phosphotransferase activity, carboxyl group as acceptor
Biological Process
GO:0006082 organic acid metabolic process
GO:0006083 acetate metabolic process
GO:0016310 phosphorylation
GO:0019543 propionate catabolic process
GO:0051144 propanediol catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7fj8, PDBe:7fj8, PDBj:7fj8
PDBsum7fj8
PubMed
UniProtA6TDE9|PDUW_KLEP7 Propionate kinase (Gene Name=pduW)

[Back to BioLiP]