Structure of PDB 8fd7 Chain D Binding Site BS01

Receptor Information
>8fd7 Chain D (length=955) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPSAVTIKSWVDKMQEDLVTLAKTASGVHQLVDIYEKYQDLYTVEPNNAR
QLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYN
AKDDEPGSQRIKPVFIDDANFRRQVSYQHAAVHIPTDIYEGSTIVLNELN
WTSALDDVFKKNREEDPSLLWQVFGSATGLARYYPASPWVDNSRTPNKID
LYDVRRRPWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSVSEMLETLS
DDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNITAKGITDYK
KGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFAKYNKDKKVRV
FTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEYLDVLGRPM
VLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNITGQFENKTNLKNQLI
LGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPNLQPKPIGV
GIPTINSQEPVTLDFLDAELENDIKVEIRNKMIDGESGEKTFRTLVKSQD
ERYIDKGNRTYTWTPVNGTDYSLALVLPTYSFYYIKAKIEETITQARYSE
TLKPDNFEESGYTFLAPRDYCSDLKPSDNNTEFLLNFNEFIDRKTPNNPS
CNTDLINRVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGITRVYPK
EAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGIMVSK
AVEIYIQGKLLKPAVVGIKIDVNSWIENFTKRNSDVMDCVILDDGGFLLM
ANHDDYTNQIGRFFGEIDPSLMRHLVNISVYAFNKSYDYQSVCEPGAASK
QSCITEQTQYFFDNDSKSFSGVLDCGNCSRIFHVEKLMNTNLIFIMVESK
GTCPCDTRLLIQAEQTSDGPDPCDMVKQPRYRKGPDVCFDNNVLEDYTDC
GGVSG
Ligand information
Ligand IDGBN
InChIInChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKeyUGJMXCAKCUNAIE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)(CC(=O)O)CN
CACTVS 3.341NCC1(CCCCC1)CC(O)=O
ACDLabs 10.04O=C(O)CC1(CN)CCCCC1
FormulaC9 H17 N O2
Name[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID;
GABAPENTIN
ChEMBLCHEMBL940
DrugBankDB00996
ZINCZINC000000004949
PDB chain8fd7 Chain D Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8fd7 Structural basis for Ca V alpha 2 delta :gabapentin binding.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		W207 Y219 Y238 R243 Y452 D454 D493
Binding residue
(residue number reindexed from 1)		W171 Y183 Y202 R207 Y416 D418 D457
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8fd7, PDBe:8fd7, PDBj:8fd7
PDBsum8fd7
PubMed36973510
UniProtP13806|CA2D1_RABIT Voltage-dependent calcium channel subunit alpha-2/delta-1 (Gene Name=CACNA2D1)

[Back to BioLiP]