Structure of PDB 4crv Chain B Binding Site BS01

Receptor Information

>4crv Chain B (length=271) Species: 9606 (Homo sapiens)

HMLEREKIYQWINELSSPETRENALLELSKKRESVPDLAPMLWHSFGTIA
ALLQEIVNIYPSINPPTLTAHQSNRVCNALALLQCVASHPETRSAFLAAH
IPLFLYPFLHTVSKTRPFEYLRLTSLGVIGALVKTDEQEVINFLLTTEII
PLCLRIMESGSELSKTVATFILQKILLDDTGLAYICQTYERFSHVAMILG
KMVLQLSKEPSARLLKHVVRCYLRLSDNPRAREALRQCLPDQLKDTTFAQ
VLKDDTTTKRWLAQLVKNLQE

Ligand information

• Ligand ID: TRP
• InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
• InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c2ccccc12)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
• Formula: C11 H12 N2 O2
• Name: TRYPTOPHAN
• ChEMBL: CHEMBL54976
• DrugBank: DB00150
• ZINC: ZINC000000083315
• PDB chain: 4crv Chain B Residue 1800

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4crv A Ddx6-Cnot1 Complex and W-Binding Pockets in Cnot9 Reveal Direct Links between Mirna Target Recognition and Silencing
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): I164 Y198 R205 H208 V209
• Binding residue (residue number reindexed from 1): I150 Y184 R191 H194 V195
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0006402 mRNA catabolic process

Cellular Component

• GO:0030014 CCR4-NOT complex

External links

• PDB: RCSB:4crv, PDBe:4crv, PDBj:4crv
• PDBsum: 4crv
• PubMed: 24768540
• UniProt: Q92600|CNOT9_HUMAN CCR4-NOT transcription complex subunit 9 (Gene Name=CNOT9)