Structure of PDB 5l0n Chain A Binding Site BS01

Receptor Information

>5l0n Chain A (length=127) Species: 9606 (Homo sapiens)

GLIKHTEYMEFLKSVPTFQSLPEEILSKLADVLEETHYENGEYIIRQGAR
GDTFFIISKGTVNVTREDSPSEDPVFLRTLGKGDWFGEKALQGEDVRTAN
VIAAEAVTCLVIDRDSFKHLIGGLDDV

Ligand information

• Ligand ID: 6ZA
• InChI: InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22-/m1/s1
• InChIKey: JZAJZXRXCHCRMU-KVBUDSETSA-N
• SMILES:
  OpenEye OEToolkits 2.0.5: c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)O)O)NC(=NC2=O)N
  CACTVS 3.385: NC1=NC(=O)c2ncn([C@@H]3O[C@@H]4CO[P@@](O)(=S)O[C@H]4[C@H]3O)c2N1
  OpenEye OEToolkits 2.0.5: c1nc2c(n1C3C(C4C(O3)COP(=S)(O4)O)O)NC(=NC2=O)N
  ACDLabs 12.01: N=4C(c3ncn(C2OC1COP(=S)(OC1C2O)O)c3NC=4N)=O
  CACTVS 3.385: NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=S)O[CH]4[CH]3O)c2N1
• Formula: C10 H12 N5 O6 P S
• Name: 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one
• PDB chain: 5l0n Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5l0n Structure of PKG I CNB-B bound to RP-cGMP
• Resolution: 1.285 Å
• Binding residue (original residue number in PDB): V283 L296 R297 G306 K308 R316 T317 A318
• Binding residue (residue number reindexed from 1): V64 L77 R78 G87 K89 R97 T98 A99
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.11.12: cGMP-dependent protein kinase.

Gene Ontology

Molecular Function

• GO:0004692 cGMP-dependent protein kinase activity
• GO:0005524 ATP binding

External links

• PDB: RCSB:5l0n, PDBe:5l0n, PDBj:5l0n
• PDBsum: 5l0n
• UniProt: Q13976|KGP1_HUMAN cGMP-dependent protein kinase 1 (Gene Name=PRKG1)