Structure of PDB 3vve Chain A Binding Site BS01

Receptor Information

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

GGSEFQVRSFEEIKRSGEIRIGTEGAFPPFNYFDERNQLTGFEVDLGNAI
AERLGLKPRWIAQSFDTLLIQLNQGRFDFVIASHGITEERARAVDFTNPH
YCTGGVIVSRKGGPRTAKDLQGKVVGVQVGTTYMEAAQKIPGIKEVRTYQ
RDPDALQDLLAGRIDTWITDRFVAKEAIKERKLENTLQVGELVFQERVAM
AVAKGNKSLLDALNRALAELMQDGTYARISQKWFGEDVRCK

Ligand information

• Ligand ID: LYS
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
• InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-O
• SMILES:
  CACTVS 3.341: N[CH](CCCC[NH3+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])C[C@@H](C(=O)O)N
  CACTVS 3.341: N[C@@H](CCCC[NH3+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])CC(C(=O)O)N
• Formula: C6 H15 N2 O2
• Name: LYSINE
• PDB chain: 3vve Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vve Two ATP-Binding Cassette Transporters Involved in (S)-2-Aminoethyl-Cysteine Uptake in Thermus thermophilus
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E19 F22 F60 S78 H79 R85 Q123 T126 T127 Y128 E191
• Binding residue (residue number reindexed from 1): E24 F27 F65 S83 H84 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:3vve, PDBe:3vve, PDBj:3vve
• PDBsum: 3vve
• PubMed: 23794618
• UniProt: Q72JG5