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Receptor
PDB id Resolution Class Description Source Keywords
2OD9 2.05 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BASE EXCHAN ENZYMES SACCHAROMYCES CEREVISIAE ZN BINDING PROTEIN ROSSMANN FOLD HYDROLASE
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BA EXCHANGE IN SIR2 ENZYMES. MOL.CELL V. 25 463 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A1R NCA A:1001;
Valid;
none;
submit data n/a n/a n/a n/a
ZN A:701;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OD9 2.05 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BASE EXCHAN ENZYMES SACCHAROMYCES CEREVISIAE ZN BINDING PROTEIN ROSSMANN FOLD HYDROLASE
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE INHIBITION AND BA EXCHANGE IN SIR2 ENZYMES. MOL.CELL V. 25 463 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2OD9 - A1R NCA n/a n/a
2 2OD7 - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
3 2OD2 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2OD9 - A1R NCA n/a n/a
2 2OD7 - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
3 2OD2 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 2QQF - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
5 2QQG - A1R NCA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2OD9 - A1R NCA n/a n/a
2 2OD7 - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
3 2OD2 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 2QQF - A1R C15 H24 N6 O12 P2 c1nc(c2c(n....
5 2QQG - A1R NCA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A1R NCA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OD9; Ligand: A1R NCA; Similar sites found with APoc: 177
This union binding pocket(no: 1) in the query (biounit: 2od9.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1L1E SAH 1.39373
2 2HK9 ATR 1.45455
3 3RKR NAP 1.52672
4 6DEN FAD 1.62338
5 6DEN G8A 1.62338
6 6DEN TP9 1.62338
7 1GQ2 OXL 1.62338
8 6FDF SAH 1.62338
9 4Y9D NAI 1.63934
10 2AOT SAH 1.71233
11 3GCZ SAM 1.77305
12 3DUV KDO 1.9084
13 5XH2 NPO 1.9084
14 3PT9 SAH 1.94805
15 4D1J DGJ 1.94805
16 5OJL TXP 2.01342
17 1V59 NAD 2.27273
18 3GWZ SAH 2.27273
19 2IV2 MGD 2.27273
20 3DXY SAM 2.29358
21 5JE8 NAD 2.31788
22 2VT3 ATP 2.32558
23 1UAY ADN 2.47934
24 3BRE C2E 2.5974
25 5CK5 GDP 2.5974
26 2FK8 SAM 2.5974
27 1PJS NAD 2.5974
28 3KCC CMP 2.69231
29 6CB2 OLC 2.73038
30 5LQ8 GB 2.83688
31 2FMD MAN MAN 2.91667
32 1T9D 1MM 2.92208
33 1T9D PYD 2.92208
34 1T9D P25 2.92208
35 2C31 TZD 2.92208
36 2C31 ADP 2.92208
37 2Q28 ADP 2.92208
38 2V3V MGD 2.92208
39 3QVP FAD 2.92208
40 3EF0 ALF 2.92208
41 5WKC FAD 2.92208
42 1T9D FAD 2.92208
43 2C3W GLC GLC GLC GLC 2.94118
44 4A59 AMP 2.94599
45 4YAC NAI 3.0303
46 5VLQ ANP 3.24675
47 5X7Q GLC GLC GLC GLC 3.24675
48 5X7Q GLC GLC GLC 3.24675
49 5XNC MTA 3.24675
50 4G05 JZ3 3.24675
51 4KIB SAH 3.24675
52 2JHP SAH 3.24675
53 5OCS CIT 3.24675
54 1GPE FAD 3.24675
55 4DMG SAM 3.24675
56 1UH4 GLC GLC GLC GLC GLC GLC 3.24675
57 4IF4 BEF 3.36538
58 1MVQ MMA 3.38983
59 1V6A TRE 3.57143
60 1DMR PGD 3.57143
61 2EG5 SAH 3.57143
62 2IZ1 ATR 3.57143
63 4N49 SAM 3.57143
64 1BW9 NAD 3.8961
65 1GZ6 NAI 3.8961
66 4Z1D PEP 3.98551
67 5O42 NAD 4.0146
68 5O42 BGC 4.0146
69 5O42 9JW 4.0146
70 3T7S SAM 4.10448
71 4L2I FAD 4.18251
72 2BHZ MAL 4.22078
73 1JG3 ADN 4.25532
74 3ML1 MGD 4.44444
75 3F8D FAD 4.54545
76 2FKA BEF 4.65116
77 6FC1 MGP 4.6875
78 4D79 ATP 4.71014
79 1P77 ATR 4.77941
80 3EGI ADP 4.85437
81 4D5G FAD 4.87013
82 4D5G TPP 4.87013
83 2OG2 MLI 4.87013
84 1GPM CIT 4.87013
85 5WP5 SAH 4.87013
86 4JNA FAD 4.87013
87 3NDJ SAH 4.87013
88 3NDJ JHZ 4.87013
89 1OBB NAD 4.87013
90 3LST SAH 4.88506
91 1N2X SAM 4.98339
92 4KGD FAD 5.19481
93 4KGD TDP 5.19481
94 3UNG ADP 5.19481
95 1YBH FAD 5.19481
96 3I9U DTU 5.32319
97 4CQM NAP 5.32787
98 4TR1 GSH 5.43478
99 3VC1 GST 5.44872
100 3VC1 SAH 5.44872
101 4POO SAM 5.5
102 5LW0 AR6 5.51948
103 1QZZ SAM 5.51948
104 4RDI ATP 5.51948
105 4RDH AMP 5.51948
106 1UP7 NAD 5.51948
107 1RLZ NAD 5.69106
108 1DJL NAP 5.7971
109 4TO8 FLC 5.82192
110 4JOB TLA 5.84416
111 3LCC SAH 5.95745
112 2VDV SAM 6.09756
113 1XDS SAM 6.16883
114 3I53 SAH 6.16883
115 3VSE SAH 6.49351
116 5DNK SAH 6.49351
117 1D4O NAP 6.52174
118 1L7N ALF 6.63507
119 1R27 MGD 6.81818
120 4M73 M72 6.81818
121 4M73 SAH 6.81818
122 5HV7 RBL 6.81818
123 3P4X ADP 6.81818
124 1KYQ NAD 6.93431
125 1IAU ACE ILE GLU PRO ASJ 7.04846
126 1LSS NAD 7.14286
127 3EYA FAD 7.14286
128 1TZD ADP 7.27273
129 5ZI9 FLC 7.30769
130 1JJ7 ADP 7.69231
131 2Z3U CRR 8.11688
132 6F5Z SAH 8.19672
133 1NU4 MLA 8.24742
134 4B4U NAP 8.25082
135 5A3B APR 8.58086
136 3WCS MAN NAG 8.66142
137 1A5V Y3 8.86076
138 6CZ7 MGD 8.97436
139 2NXE SAM 9.05512
140 4YDD MD1 9.09091
141 4YDD MGD 9.09091
142 2GKS ADP 9.74026
143 1G8K MGD 10.0649
144 1NM5 NAP 10.3896
145 2OOR TXP 10.3896
146 1NM5 NAD 10.3896
147 5N53 8NB 10.3896
148 1EJ0 SAM 10.5556
149 1O97 FAD 10.6061
150 1O97 AMP 10.6061
151 5BW4 SAM 10.8614
152 1LOB MMA 11.5385
153 1BZL FAD 11.6883
154 4JGP PYR 11.9816
155 1V5F FAD 12.6623
156 1V5F TPP 12.6623
157 2WPF WPF 12.6623
158 2WPF FAD 12.6623
159 1EWK GLU 12.987
160 1EFV FAD 13.3117
161 1EFV AMP 13.3117
162 1T32 OHH 13.3929
163 1RJW ETF 13.6364
164 1X87 NAD 14.2857
165 1LES GLC FRU 14.3646
166 1SQL GUN 14.3836
167 1OFS SUC 14.4385
168 2PK4 ACA 15
169 1NBU PH2 15.126
170 2BQP GLC 16.6667
171 1PNO NAP 17.7778
172 5HSA FAS 28.5714
173 5Z84 CHD 28.7671
174 5W97 CHD 28.7671
175 3L9W AMP 35.7143
176 2UYQ SAM 35.7143
177 1M2K APR 38.1526
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