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 T25200 Target Info
Target Name Ribonuclease L (RNASEL)
Synonyms Ribonuclease 4; RNase L; RNS4; 25Adependent ribonuclease; 25Adependent RNase; 2-5A-dependent ribonuclease; 2-5A-dependent RNase
Target Type Literature-reported Target
Gene Name RNASEL
Biochemical Class Endoribonucleases
UniProt ID
RN5A_HUMAN
Ligand General Information  Top
Ligand Name 5'-O-Monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(C(OC7N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O)O)O)O)O)N
InChI 1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
InChIKey SIIZPVYVXNXXQG-UQTMIEBXSA-N
PubChem Compound ID 449135
Drug Binding Sites of Target  Top
PDB ID: 4G8L      Active state of intact sensor domain of human RNase L with 2-5A bound
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
SSGRRAAVED
25
NHLLIKAVQN
35
EDVDLVQQLL
45
EGGANVNFQE
55
EEGGWTPLHN
65

AVQMSREDIV
75
ELLLRHGADP
85
VLRKKNGATP
95
FILAAIAGSV
105
KLLKLFLSKG
115

ADVNECDFYG
125
FTAFMEAAVY
135
GKVKALKFLY
145
KRGANVNLRR
155
KTKEDQERLR
165

GATALMDAAE
177
KGHVEVLKIL
187
LDEMGADVNA
197
CDNMGRNALI
207
HALLSSDDSD
217

VEAITHLLLD
227
HGADVNVRGE
237
RGKTPLILAV
247
EKKHLGLVQR
257
LLEQEHIEIN
267

DTDSDGKTAL
277
LLAVELKLKK
287
IAELLCKRGA
297
STCGDLVMTA
308
RRNYDHSLVK
318

VLLSHGA
Residue
Distance (Å)
GLN34
4.312
GLU55
3.543
GLU57
3.553
GLY58
3.127
TRP60
2.942
ASN65
2.847
GLN68
2.827
LYS89
2.557
ASN91
3.697
ILE101
3.908
Residue
Distance (Å)
ASP122
3.559
TYR124
3.787
PHE126
3.357
GLU131
2.448
VAL134
3.881
TYR135
2.395
ARG155
2.652
ALA169
4.445
ASP174
4.846
PDB ID: 1WDY      Crystal structure of ribonuclease
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [2]
PDB Sequence
AAVEDNHLLI
30
KAVQNEDVDL
40
VQQLLEGGAN
50
VNFQEEEGGW
60
TPLHNAVQMS
70

REDIVELLLR
80
HGADPVLRKK
90
NGATPFLLAA
100
IAGSVKLLKL
110
FLSKGADVNE
120

CDFYGFTAFM
130
EAAVYGKVKA
140
LKFLYKRGAN
150
VNLRRKTKED
160
QERLRKGGAT
170

ALMDAAEKGH
180
VEVLKILLDE
190
MGADVNACDN
200
MGRNALIHAL
210
LSSDDSDVEA
220

ITHLLLDHGA
230
DVNVRGERGK
240
TPLILAVEKK
250
HLGLVQRLLE
260
QEHIEINDTD
270

SDGKTALLLA
280
VELKLKKIAE
290
LLCKRGASTD
300
CGDLV
Residue
Distance (Å)
GLN34
4.002
GLU55
3.421
GLU57
4.344
GLY58
3.441
TRP60
3.074
ASN65
2.968
GLN68
3.132
LYS89
2.674
ASN91
3.706
ILE101
3.967
Residue
Distance (Å)
ASP122
3.461
TYR124
3.614
PHE126
3.266
GLU131
2.496
VAL134
3.718
TYR135
2.709
ARG155
2.884
GLY167
4.412
ALA169
4.759
References  Top
REF 1 Innate immune messenger 2-5A tethers human RNase L into active high-order complexes. Cell Rep. 2012 Oct 25;2(4):902-13.
REF 2 Structural basis for recognition of 2',5'-linked oligoadenylates by human ribonuclease L. EMBO J. 2004 Oct 13;23(20):3929-38.

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