Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T99397 Target Info
Target Name Voltage-dependent anion-selective channel 1 (VDAC1)
Synonyms Porin 31HM; Porin 31HL; Plasmalemmal porin; Outer mitochondrial membrane protein porin 1
Target Type Clinical trial Target
Gene Name VDAC1
Biochemical Class Eukaryotic mitochondrial porin
UniProt ID
VDAC1_HUMAN
Ligand General Information  Top
Ligand Name n-HEXANE Ligand Info
Canonical SMILES CCCCCC
InChI 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
PubChem Compound ID 8058
Drug Binding Sites of Target  Top
PDB ID: 5XDO      Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in C222 space group
Method X-ray diffraction Resolution 3.10 Å Mutation No [1]
PDB Sequence
MAVPPTYADL
10
GKSARDVFTK
20
GYGFGLIKLD
30
LKTKSENGLE
40
FTSSGSANTE
50

TTKVTGSLET
60
KYRWTEYGLT
70
FTEKWNTDNT
80
LGTEITVEDQ
90
LARGLKLTFD
100

SSFSPNTGKK
110
NAKIKTGYKR
120
EHINLGCDMD
130
FDIAGPSIRG
140
ALVLGYEGWL
150

AGYQMNFETA
160
KSRVTQSNFA
170
VGYKTDEFQL
180
HTNVNDGTEF
190
GGSIYQKVNK
200

KLETAVNLAW
210
TAGNSNTRFG
220
IAAKYQIDPD
230
ACFSAKVNNS
240
SLIGLGYTQT
250

LKPGIKLTLS
260
ALLDGKNVNA
270
GGHKLGLGLE
280
FQA
Residue
Distance (Å)
TYR118
4.243
ARG120
3.370
Residue
Distance (Å)
ILE123
4.935
LEU125
3.989
PDB ID: 5XDN      Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 space group
Method X-ray diffraction Resolution 3.15 Å Mutation No [1]
PDB Sequence
GSMAVPPTYA
8
DLGKSARDVF
18
TKGYGFGLIK
28
LDLKTKGLEF
41
TSSGSANTET
51

TKVTGSLETK
61
YRWTEYGLTF
71
TEKWNTDNTL
81
GTEITVEDQL
91
ARGLKLTFDS
101

SFSPGKKNAK
113
IKTGYKREHI
123
NLGCDMDFDI
133
AGPSIRGALV
143
LGYEGWLAGY
153

QMNFETAKSR
163
VTQSNFAVGY
173
KTDEFQLHTN
183
VNDGTEFGGS
193
IYQKVNKKLE
203

TAVNLAWTAG
213
NSNTRFGIAA
223
KYQIDPDACF
233
SAKVNNSSLI
243
GLGYTQTLKP
253

GIKLTLSALL
263
DGKNAGGHKL
275
GLGLEFQA
Residue
Distance (Å)
THR116
4.072
CYS127
4.417
Residue
Distance (Å)
MET129
3.412
References  Top
REF 1 Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1. Protein Sci. 2017 Sep;26(9):1749-1758.

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