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 T06525 Target Info
Target Name Rac family small GTPase 3 (RAC3)
Synonyms p21-Rac3; Ras-related C3 botulinum toxin substrate 3
Target Type Literature-reported Target
Gene Name RAC3
UniProt ID
RAC3_HUMAN
Ligand General Information  Top
Ligand Name Phosphomethylphosphonic Acid Guanylate Ester Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
InChI 1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKey GXTIEXDFEKYVGY-KQYNXXCUSA-N
PubChem Compound ID 135440070
Drug Binding Sites of Target  Top
PDB ID: 2QME      Crystal structure of human RAC3 in complex with CRIB domain of human p21-activated kinase 1 (PAK1)
Method X-ray diffraction Resolution 1.75 Å Mutation No [1]
PDB Sequence
MQAIKCVVVG
10
DGAVGKTCLL
20
ISYTTNAFPG
30
EYIPTVFDNY
40
SANVMVDGKP
50

VNLGLWDTAG
60
QEDYDRLRPL
70
SYPQTDVFLI
80
CFSLVSPASF
90
ENVRAKWYPE
100

VRHHCPHTPI
110
LLVGTKLDLR
120
DDKDTIERLR
130
DKKLAPITYP
140
QGLAMAREIG
150

SVKYLECSAL
160
TQRGLKTVFD
170
EAIRAVLG
Residue
Distance (Å)
GLY10
4.757
ASP11
3.840
GLY12
3.944
ALA13
3.632
VAL14
3.424
GLY15
3.084
LYS16
2.715
THR17
2.969
CYS18
2.820
LEU19
4.928
PHE28
3.520
PRO29
4.722
GLU31
4.984
TYR32
3.659
Residue
Distance (Å)
ILE33
4.418
PRO34
3.284
THR35
2.771
ASP57
4.823
THR58
4.158
ALA59
3.900
GLY60
2.780
GLN61
4.510
LYS116
3.037
ASP118
2.802
LEU119
3.478
SER158
3.500
ALA159
2.918
LEU160
3.239
PDB ID: 2OV2      The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
Method X-ray diffraction Resolution 2.10 Å Mutation No [2]
PDB Sequence
MQAIKCVVVG
10
DGAVGKTCLL
20
ISYTTNAFPG
30
EYIPTVFDNY
40
SANVMVDGKP
50

VNLGLWDTAG
60
QEDYDRLRPL
70
SYPQTDVFLI
80
CFSLVSPASF
90
ENVRAKWYPE
100

VRHHCPHTPI
110
LLVGTKLDLR
120
DDKDTIERLR
130
DKKLAPITYP
140
QGLAMAREIG
150

SVKYLECSAL
160
TQRGLKTVFD
170
EAIRAVLG
Residue
Distance (Å)
GLY10
4.503
ASP11
3.823
GLY12
4.040
ALA13
3.559
VAL14
3.482
GLY15
3.105
LYS16
2.606
THR17
2.895
CYS18
2.758
LEU19
4.914
PHE28
3.421
PRO29
4.790
TYR32
3.530
ILE33
4.411
Residue
Distance (Å)
PRO34
3.489
THR35
2.960
ASP57
4.697
THR58
4.024
ALA59
4.003
GLY60
2.888
GLN61
4.538
LYS116
3.076
ASP118
2.761
LEU119
3.536
SER158
3.517
ALA159
2.912
LEU160
3.296
References  Top
REF 1 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 1 (PAK1).
REF 2 The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)

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