Structure of PDB 7s5e Chain E Binding Site BS01

Receptor Information
>7s5e Chain E (length=203) Species: 522373 (Stenotrophomonas maltophilia K279a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARGTLYIVAAPSGAGKSSIVNATLARDPQIALSISFTSRAMRPGEVNGQH
YHFVSAEKFEQMIAAGDFFEHAWVHGDWKGTARQSVEPQLAAGQDVLLEI
DWQGAQQVRQLVPGTVTVFILPPSKQALQDRMRKRGQDSEAVIAQRLGAA
RDEMLHFNEFDYVIVNEVFDTAVDELCAIFTASRLRREAQKVRHAGLIQA
LLT
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain7s5e Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7s5e Crystal structure of a guanylate kinase from Stenotrophomonas maltophilia K279c with heterogeneous ligand states of GMP/ADP, GMP/-, GDP/-, and GMP/ATPgS.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K27 S46 R50 R53 Y62 E81 V85 H86 K90 G91 E110 I111 D112
Binding residue
(residue number reindexed from 1)		K16 S35 R39 R42 Y51 E70 V74 H75 K79 G80 E99 I100 D101
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.4.8: guanylate kinase.
Gene Ontology
Molecular Function
GO:0004385 guanylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006163 purine nucleotide metabolic process
GO:0016310 phosphorylation
GO:0046037 GMP metabolic process
GO:0046710 GDP metabolic process
Cellular Component
GO:0005737 cytoplasm
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:7s5e, PDBe:7s5e, PDBj:7s5e
PDBsum7s5e
PubMed
UniProtB2FT06

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