Structure of PDB 7fgh Chain I Binding Site BS03

Receptor Information

>7fgh Chain I (length=453) Species: 371094 (Chikungunya virus strain S27-African prototype)

DPVYVDIDADSAFLKALQRAYPMFEVEPRQVTPNDHANARAFSHLAIKLI
EQEIDPDSTILDIGSAPARRMMSDRKYHCVCPMRSAEDPERLANYARKLA
SAAGKVLDRNISGKIGDLQAVMAVPDTETPTFCLHTDVSCRQRADVAIYQ
DVYAVHAPTSLYHQAIKGVRLAYWVGFDTTPFMYNAMAGAYPSYSTNWAD
EQVLKAKNIGLCSTDLTEGRRGKLSIMRGKKLEPCDRVLFSVGSTLYPES
RKLLKSWHLPSVFHLKGKLSFTCRCDTVVSCEGYVVKRITMSPGLYGKTT
GYAVTHHADGFLMCKTTDTVDGERVSFSVCTYVPATICDQMTGILATEVT
PEDAQKLLVGLNQRTNTMKNYMIPVVAQAFSKWAKECRKDMEDEKLLGVR
ERTWAFKKQKTHTVYKRPDTQSIQKVQAEFDSFVWSSGLSIPLRTRIKWL
LSK

Ligand information

• Ligand ID: G7M
• InChI: InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1
• InChIKey: AOKQNZVJJXPUQA-KQYNXXCUSA-O
• SMILES:
  OpenEye OEToolkits 2.0.7: C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O
  CACTVS 3.385: C[n+]1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
  ACDLabs 12.01: O=P(O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
  CACTVS 3.385: C[n+]1cn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
  OpenEye OEToolkits 2.0.7: C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
• Formula: C11 H17 N5 O8 P
• Name: N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE
• ChEMBL: CHEMBL1232939
• DrugBank: DB03593
• ZINC: ZINC000004096273
• PDB chain: 7fgh Chain I Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fgh Molecular basis of specific viral RNA recognition and 5'-end capping by the Chikungunya virus nsP1.
• Resolution: 2.18 Å
• Binding residue (original residue number in PDB): H37 R41 D152 Y154 F241 Y248 E250
• Binding residue (residue number reindexed from 1): H36 R40 D151 Y153 F240 Y247 E249
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  2.7.7.-
  2.7.7.19: polynucleotide adenylyltransferase.
  2.7.7.48: RNA-directed RNA polymerase.
  3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
  3.4.22.-
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.1.74: mRNA 5'-phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0008174 mRNA methyltransferase activity

Biological Process

• GO:0006396 RNA processing
• GO:0016556 mRNA modification

External links

• PDB: RCSB:7fgh, PDBe:7fgh, PDBj:7fgh
• PDBsum: 7fgh
• PubMed: 35905713
• UniProt: Q8JUX6|POLN_CHIKS Polyprotein P1234