Structure of PDB 2f02 Chain A Binding Site BS01

Receptor Information
>2f02 Chain A (length=319) Species: 226185 (Enterococcus faecalis V583) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIVTVTMNPSIDISYLLDHLKLDTVNRTSQVTKTPGGKGLNVTRVIHDL
GGDVIATGVLGGFHGAFIANELKKANIPQAFTSIKEETRDSIAILHEGNQ
TEILEAGPTVSPEEISNFLENFDQLIKQAEIVTISGSLAKGLPSDFYQEL
VQKAHAQEVKVLLDTSGDSLRQVLQGPWKPYLIKPNLEELEGLLGQDFSE
NPLAAVQTALTKPMFAGIEWIVISLGKDGAIAKHHDQFYRVKIPTIQAKN
PVGSGDATIAGLAYGLAKDAPAAELLKWGMAAGMANAQERMTGHVDVENV
KKHLMNIQVVEIAKEGHHH
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain2f02 Chain A Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2f02 Crystal Structure of LacC from Enterococcus Faecalis in complex with ATP
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N185 S223 G225 I242 I245 G252 S253 G254 T257 M279 G282 M283
Binding residue
(residue number reindexed from 1)		N186 S224 G226 I243 I246 G253 S254 G255 T258 M280 G283 M284
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.144: tagatose-6-phosphate kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008443 phosphofructokinase activity
GO:0009024 tagatose-6-phosphate kinase activity
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005988 lactose metabolic process
GO:0016310 phosphorylation
GO:0019512 lactose catabolic process via tagatose-6-phosphate
GO:0046835 carbohydrate phosphorylation
GO:2001059 D-tagatose 6-phosphate catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2f02, PDBe:2f02, PDBj:2f02
PDBsum2f02
PubMed
UniProtQ833W9|LACC_ENTFA Tagatose-6-phosphate kinase (Gene Name=lacC)

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