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 T58361 Target Info
Target Name Transforming protein RhoB (RHOB)
Synonyms RhoB
Target Type Literature-reported Target
Gene Name RHOB
UniProt ID
RHOB_HUMAN
Ligand General Information  Top
Ligand Name Guanosine-5'-Triphosphate Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
InChI 1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey XKMLYUALXHKNFT-UUOKFMHZSA-N
PubChem Compound ID 135398633
Drug Binding Sites of Target  Top
PDB ID: 6HXU      Crystal structure of Human RHOB Q63L in complex with GTP
Method X-ray diffraction Resolution 1.19 Å Mutation Yes [1]
PDB Sequence
AAIRKKLVVV
11
GDGACGKTCL
21
LIVFSKDEFP
31
EVYVPTVFEN
41
YVADIEVDGK
51

QVELALWDTA
61
GLEDYDRLRP
71
LSYPDTDVIL
81
MCFSVDSPDS
91
LENIPEKWVP
101

EVKHFCPNVP
111
IILVANKKDL
121
RSDEHVRTEL
131
ARMKQEPVRT
141
DDGRAMAVRI
151

QAYDYLECSA
161
KTKEGVREVF
171
ETATRAALQK
181
RY
Residue
Distance (Å)
GLY12
4.690
ASP13
3.816
GLY14
2.561
ALA15
2.210
CYS16
2.865
GLY17
2.334
LYS18
1.817
THR19
2.122
CYS20
1.989
LEU21
4.228
PHE30
2.363
PRO31
3.828
GLU32
4.905
TYR34
1.877
VAL35
4.402
PRO36
2.716
Residue
Distance (Å)
THR37
1.975
ASP59
4.911
THR60
4.159
ALA61
3.742
GLY62
2.108
LEU63
3.381
ASN117
4.712
LYS118
2.479
LYS119
4.788
ASP120
1.968
LEU121
2.559
SER160
2.871
ALA161
2.513
LYS162
2.325
THR163
4.733
PDB ID: 6SGE      Crystal structure of Human RHOB-GTP in complex with nanobody B6
Method X-ray diffraction Resolution 1.50 Å Mutation Yes [1]
PDB Sequence
AIRKKLVVVG
12
DGACGKTCLL
22
IVFSKDEFPE
32
VYVPTVFENY
42
VADIEVDGKQ
52

VELALWDTAG
62
LEDYDRLRPL
72
SYPDTDVILM
82
CFSVDSPDSL
92
ENIPEKWVPE
102

VKHFCPNVPI
112
ILVANKKDLR
122
SDEHVRTELA
132
RMKQEPVRTD
142
DGRAMAVRIQ
152

AYDYLECSAK
162
TKEGVREVFE
172
TATRAALQ
Residue
Distance (Å)
GLY12
4.286
ASP13
3.367
GLY14
1.814
ALA15
2.146
CYS16
2.676
GLY17
2.374
LYS18
2.037
THR19
2.017
CYS20
1.959
LEU21
4.283
PHE30
2.924
PRO31
4.200
GLU32
4.743
VAL33
4.792
TYR34
1.992
VAL35
3.868
Residue
Distance (Å)
PRO36
2.704
THR37
1.903
ASP59
4.794
THR60
3.923
ALA61
3.305
GLY62
1.912
LEU63
3.293
ASN117
4.635
LYS118
2.573
LYS119
4.751
ASP120
1.975
LEU121
2.247
SER160
2.773
ALA161
2.461
LYS162
2.426
THR163
4.776
References  Top
REF 1 A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation. Cell Chem Biol. 2019 Nov 21;26(11):1544-1558.e6.

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