Structure of PDB 5g5x Chain A Binding Site BS01

Receptor Information
>5g5x Chain A (length=119) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVMNTEVVTVTPEMTVSEVIDLILKTKHLGFPVVEGERLVGIITLHDII
GVEPEERVGNIMSREVVAVSPNQSAFEAFKIMSEMGIGRLPVVEHGRVVG
IVSRSDLMRIKEILEALEV
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 chain5g5x Chain A Residue 1354 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5g5x Crystallographic and biochemical characterization of the dimeric architecture of site-2 protease.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V242 V243 H263 F266 R323 I335 S337 D340
Binding residue
(residue number reindexed from 1)		V8 V9 H29 F32 R89 I101 S103 D106
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.85: S2P endopeptidase.
External links