Structure of PDB 3vv5 Chain A Binding Site BS01

Receptor Information

>3vv5 Chain A (length=237) Species: 262724 (Thermus thermophilus HB27)

FQVRSFEEIKRSGEIRIGTEGAFPPFNYFDERNQLTGFEVDLGNAIAERL
GLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPHYCTG
GVIVSRKGGPRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQRDPD
ALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAMAVAK
GNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK

Ligand information

• Ligand ID: SLZ
• InChI: InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
• InChIKey: GHSJKUNUIHUPDF-BYPYZUCNSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)CSCCN
  OpenEye OEToolkits 1.5.0: C(CSCC(C(=O)O)N)N
  OpenEye OEToolkits 1.5.0: C(CSC[C@@H](C(=O)O)N)N
  CACTVS 3.341: NCCSC[C@H](N)C(O)=O
  CACTVS 3.341: NCCSC[CH](N)C(O)=O
• Formula: C5 H12 N2 O2 S
• Name: L-THIALYSINE
• ChEMBL: CHEMBL397565
• ZINC: ZINC000005828978
• PDB chain: 3vv5 Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vv5 Two ATP-Binding Cassette Transporters Involved in (S)-2-Aminoethyl-Cysteine Uptake in Thermus thermophilus
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E19 F22 N26 F60 A77 S78 G80 R85 T126 T127 Y128
• Binding residue (residue number reindexed from 1): E20 F23 N27 F61 A78 S79 G81 R86 T127 T128 Y129
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Biological Process

• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3vv5, PDBe:3vv5, PDBj:3vv5
• PDBsum: 3vv5
• PubMed: 23794618
• UniProt: Q72JG5