Structure of PDB 2ipx Chain A Binding Site BS01

Receptor Information

>2ipx Chain A (length=220) Species: 9606 (Homo sapiens)

MVEPHRHEGVFICRLVTKNLVPGESVYGEKRVSISKIEYRAWNPFRSKLA
AAILGGVDQIHIKPGAKVLYLGAASGTTVSHVSDIVGPDGLVYAVEFSHR
SGRDLINLAKKRTNIIPVIEDARHPHKYRMLIAMVDVIFADVAQPDQTRI
VALNAHTFLRNGGHFVISIKANCIDSTASAEAVFASEVKKMQQENMKPQE
QLTLEPYERDHAVVVGVYRP

Ligand information

• Ligand ID: MTA
• InChI: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
• InChIKey: WUUGFSXJNOTRMR-IOSLPCCCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
  CACTVS 3.341: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
  ACDLabs 10.04: n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
  CACTVS 3.341: CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
  OpenEye OEToolkits 1.5.0: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
• Formula: C11 H15 N5 O3 S
• Name: 5'-DEOXY-5'-METHYLTHIOADENOSINE
• ChEMBL: CHEMBL277041
• DrugBank: DB02282
• ZINC: ZINC000004228245
• PDB chain: 2ipx Chain A Residue 4001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ipx The Crystal Structure of Human Fibrillarin in complex with SAH
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): G168 A170 E192 F193 D217 A218 V238 Q240
• Binding residue (residue number reindexed from 1): G72 A74 E96 F97 D121 A122 V142 Q144
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 2.1.1.-

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0008168 methyltransferase activity

Biological Process

• GO:0006364 rRNA processing

External links

• PDB: RCSB:2ipx, PDBe:2ipx, PDBj:2ipx
• PDBsum: 2ipx
• UniProt: P22087|FBRL_HUMAN rRNA 2'-O-methyltransferase fibrillarin (Gene Name=FBL)