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 T08198 Target Info
Target Name Oxidative stress responsive 1 (OXSR1)
Synonyms Serine/threonine-protein kinase OSR1; Oxidative stress-responsive 1 protein; KIAA1101
Target Type Literature-reported Target
Gene Name OXSR1
UniProt ID
OXSR1_HUMAN
Ligand General Information  Top
Ligand Name AMP-PNP Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
InChI 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey PVKSNHVPLWYQGJ-KQYNXXCUSA-N
PubChem Compound ID 33113
Drug Binding Sites of Target  Top
PDB ID: 2VWI      Structure of the OSR1 kinase, a hypertension drug target
Method X-ray diffraction Resolution 2.15 Å Mutation No [1]
PDB Sequence
NRDDYELQEV
22
IGTAVVQAAY
35
CEKVAIKRIN
49
AMSQCHHPNI
75
VSYYTSFVVK
85

DELWLVMKLL
95
SGGSVLDIIK
105
HIVAKGEHKS
115
GVLDESTIAT
125
ILREVLEGLE
135

YLHKNGQIHR
145
DVKAGNILLG
155
EDGSVQIADF
165
GVSAFLAGTP
190
CWMAPEVMEQ
200

VRGYDFKADI
210
WSFGITAIEL
220
ATGAAPYHKY
230
PPMKVLMLTL
240
QNDPPSLETE
255

MLKKYGKSFR
265
KMISLCLQKD
275
PEKRPTAAEL
285
LRHKFFQ
Residue
Distance (Å)
ILE23
3.731
GLY24
3.856
ALA29
3.917
VAL31
3.484
ALA44
4.088
VAL76
3.879
MET92
3.663
LYS93
2.862
Residue
Distance (Å)
LEU94
3.909
LEU95
2.983
ASP146
4.289
LYS148
4.543
GLY150
4.651
ASN151
4.369
LEU153
3.596
ASP164
4.219
PDB ID: 3DAK      Crystal Structure of Domain-Swapped OSR1 kinase domain
Method X-ray diffraction Resolution 2.25 Å Mutation No [2]
PDB Sequence
SALPWSINRD
15
DYELQEVIGS
25
GATAVVQAAY
35
CAPKKEKVAI
45
KRINLEKCQT
55

SMDELLKEIQ
65
AMSQCHHPNI
75
VSYYTSFVVK
85
DELWLVMKLL
95
SGGSVLDIIK
105

HIVAKGEHKS
115
GVLDESTIAT
125
ILREVLEGLE
135
YLHKNGQIHR
145
DVKAGNILLG
155

EDGSVQIADF
165
GVSAFLATGG
175
VGTPCWMAPE
196
VMEQVRGYDF
206
KADIWSFGIT
216

AIELATGAAP
226
YHKYPPMKVL
236
MLTLQNDPPS
246
LETGVQDKEM
256
LKKYGKSFRK
266

MISLCLQKDP
276
EKRPTAAELL
286
RHKFFQKAK
Residue
Distance (Å)
ILE23
3.335
GLY24
3.296
SER25
3.670
ALA29
4.249
VAL31
3.165
ALA44
3.980
LYS46
2.815
VAL76
3.657
MET92
4.187
LYS93
2.766
LEU94
3.943
Residue
Distance (Å)
LEU95
2.936
SER99
4.825
ASP146
3.455
LYS148
4.832
GLY150
4.287
ASN151
3.527
LEU153
3.916
ASP164
3.369
SER168
4.742
ALA172
4.475
References  Top
REF 1 Structure of the OSR1 kinase, a hypertension drug target. Proteins. 2008 Dec;73(4):1082-7.
REF 2 Crystal structure of domain-swapped STE20 OSR1 kinase domain. Protein Sci. 2009 Feb;18(2):304-13.

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