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Structure of PDB 6vfx Chain C Binding Site BS04

Receptor Information >6vfx Chain C (length=333) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] KLPTPAEIVANLNDHVIGQEQAKKALAVSVYNHYKRLRHPKAGANVELSK SNILLIGPTGSGKTLLAQSLARKLDVPFVMADATTLTEAGYVGEDVEQII TKLLGKCDFDVEKAQRGIVYIDQIDKISRTRDVSGEGVQQALLKLIEGTV ASVPPQGGEFINVDTTNILFICGGAFAGLEKVIRQRTEKGGIGFGASVHN ADITKLFGIVEPEDLIKFGLIPELIGRLPVIATLEILDEDALINILTEPK NALVKQYQALFGMENVELEFEEGALRSIARQAMERKTGARGLRSIVERCL LDTMYRLPDLKGLKKVVVGKAVIEEGREPELVF

Ligand information Ligand ID ATP InChI InChI=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 InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N CACTVS 3.341 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O ACDLabs 10.04 O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O OpenEye OEToolkits 1.5.0 c1nc(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 3.341 Nc1ncnc2n(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 Formula C10 H16 N5 O13 P3 Name ADENOSINE-5'-TRIPHOSPHATE ChEMBL CHEMBL14249 DrugBank DB00171 ZINC ZINC000004261765 PDB chain 6vfx Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 6vfx A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery. Resolution 2.9 Å Binding residue (original residue number in PDB) E302 R306 Binding residue (residue number reindexed from 1) E223 R227 Annotation score 5

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005524 ATP binding GO:0008270 zinc ion binding GO:0016887 ATP hydrolysis activity GO:0046872 metal ion binding GO:0046983 protein dimerization activity GO:0051082 unfolded protein binding GO:0140662 ATP-dependent protein folding chaperone

	Biological Process
GO:0006457	protein folding
GO:0051301	cell division
GO:0051603	proteolysis involved in protein catabolic process

	Cellular Component
GO:0009376	HslUV protease complex

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