Structure of PDB 3vvf Chain A Binding Site BS01

Receptor Information

>3vvf Chain A (length=241) Species: 262724 (Thermus thermophilus HB27)

GGSEFQVRSFEEIKRSGEIRIGTEGAFPPFNYFDERNQLTGFEVDLGNAI
AERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPH
YCTGGVIVSRKGGPRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQ
RDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAM
AVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK

Ligand information

• Ligand ID: ARG
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 3vvf Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vvf 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 F60 A77 S78 H79 G80 R85 Q123 T126 T127 Y128 E191
• Binding residue (residue number reindexed from 1): E24 F27 F65 A82 S83 H84 G85 R90 Q128 T131 T132 Y133 E196
• Annotation score: 4

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:3vvf, PDBe:3vvf, PDBj:3vvf
• PDBsum: 3vvf
• PubMed: 23794618
• UniProt: Q72JG5