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Structure of PDB 7mt9 Chain G Binding Site BS01

Receptor Information

>7mt9 Chain G (length=346) Species: 9913 (Bos taurus)

LETVVANSAFIAARGSFDAMGEDWFLDFRVLGRGGFGEVFACQMKATGKL
YACKKLNKKRLKKRKGYQGAMVEKKILAKVHSRFIVSLAYAFETKTDLCL
VMTIMNGGDIRYHIYNVDEDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIY
RDLKPENVLLDDDGNVRISDLGLAVELKAGQTKTKGYAGTPGFMAPELLL
GEEYDFSVDYFALGVTLYEMIAARGPFRARGEKVENKELKQRVLEQAVTY
PDKFSPASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEA
GMLTPPFVPDSRTVYAKNIQDVGAFSTVKGVAFEKADTEFFQEFAS

Ligand information

• Ligand ID: SGV
• InChI: InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
• InChIKey: OBZJZDHRXBKKTJ-JTFADIMSSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)C(=O)N
  ACDLabs 12.01: O=C(c2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N)N
  CACTVS 3.370: NC(=O)c1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3ncnc(N)c13
  OpenEye OEToolkits 1.7.0: c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
  CACTVS 3.370: NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3ncnc(N)c13
• Formula: C12 H15 N5 O5
• Name: SANGIVAMYCIN;
  4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
• ChEMBL: CHEMBL101892
• ZINC: ZINC000004217438
• PDB chain: 7mt9 Chain G Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mt9 Structures of rhodopsin in complex with G-protein-coupled receptor kinase 1.
• Resolution: 7.0 Å
• Binding residue (original residue number in PDB): L193 G194 V201 A214 M264 M267 L321
• Binding residue (residue number reindexed from 1): L31 G32 V39 A52 M102 M105 L159
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D314 K316 E318 N319 D332 A341 T352
• Catalytic site (residue number reindexed from 1): D152 K154 E156 N157 D170 A179 T190
• Enzyme Commision number: 2.7.11.14: rhodopsin kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0004703 G protein-coupled receptor kinase activity
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0050254 rhodopsin kinase activity

Biological Process

• GO:0006468 protein phosphorylation
• GO:0007165 signal transduction
• GO:0007601 visual perception
• GO:0009966 regulation of signal transduction
• GO:0016310 phosphorylation
• GO:0022400 regulation of opsin-mediated signaling pathway
• GO:0046777 protein autophosphorylation

Cellular Component

• GO:0001750 photoreceptor outer segment
• GO:0005737 cytoplasm
• GO:0016020 membrane
• GO:0042995 cell projection
• GO:0097381 photoreceptor disc membrane

External links

• PDB: RCSB:7mt9, PDBe:7mt9, PDBj:7mt9
• PDBsum: 7mt9
• PubMed: 34262173
• UniProt: P28327|GRK1_BOVIN Rhodopsin kinase GRK1 (Gene Name=GRK1)

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