Structure of PDB 6pmt Chain A Binding Site BS01

Receptor Information
>6pmt Chain A (length=376) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVVGIDLGTTNSCVAVMEGKQAKVLENAEGARTTPSVVAFTADGERLVGM
PAKRQAVTNPNNTFYATKRLIGRRYDDPEVQKDIKNVPFKIVRASNGDAW
VEAHGKLYSPSQIGAFVLMKMKETAENYLGHTAKNAVITVPAYFNDSQRQ
ATKDAGQISGLNVLRVINEPTAAALAYGLDKSEDKVIAVYDLGGGTFDIS
ILEIQKGVFEVKSTNGDTFLGGEDFDQALLRHIVKEFKRETGVDLTKDNM
ALQRVREAAEKAKCELSSSVQTDINLPYLTMDSSGPKHLNMKLTRAQFEG
IVTDLIRRTIAPCQKAMQDAEVSKSDIGEVILVGGMTRMPKVQQTVQDLF
GRAPSKAVNPDEAVAIGAAIQGGVLA
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 chain6pmt 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

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PDB6pmt Structure of the mortalin nucleotide binding domain in complex with adenosine monophosphate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G246 G247 G275 E313 K316 C317 S320 G388 M389 R391
Binding residue
(residue number reindexed from 1)		G193 G194 G222 E260 K263 C264 S267 G335 M336 R338
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D59 K121 E222 D244
Catalytic site (residue number reindexed from 1) D6 K68 E169 D191
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone

View graph for
Molecular Function
External links
PDB RCSB:6pmt, PDBe:6pmt, PDBj:6pmt
PDBsum6pmt
PubMed
UniProtP38646|GRP75_HUMAN Stress-70 protein, mitochondrial (Gene Name=HSPA9)

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