Receptor
PDB id Resolution Class Description Source Keywords
2W8Q 2.4 Å EC: 1.2.1.24 THE CRYSTAL STRUCTURE OF HUMAN SSADH IN COMPLEX WITH SSA. HOMO SAPIENS MITOCHONDRION DEHYDROGENASE OXIDOREDUCTASE TRANSIT PEPTIDE DISEASE MUTATION SSA NAD SSADH POLYMORPHISM MITOCHONDRIA
Ref.: REDOX-SWITCH MODULATION OF HUMAN SSADH BY DYNAMIC CATALYTIC LOOP. EMBO J. V. 28 959 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1101;
A:1102;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SIN A:3001;
Valid;
none;
submit data
116.072 C4 H6 O4 O=C([...
SO4 A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
A:1007;
A:1008;
A:1009;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W8Q 2.4 Å EC: 1.2.1.24 THE CRYSTAL STRUCTURE OF HUMAN SSADH IN COMPLEX WITH SSA. HOMO SAPIENS MITOCHONDRION DEHYDROGENASE OXIDOREDUCTASE TRANSIT PEPTIDE DISEASE MUTATION SSA NAD SSADH POLYMORPHISM MITOCHONDRIA
Ref.: REDOX-SWITCH MODULATION OF HUMAN SSADH BY DYNAMIC CATALYTIC LOOP. EMBO J. V. 28 959 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W8Q - SIN C4 H6 O4 O=C([O-])C....
2 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 2W8Q - SIN C4 H6 O4 O=C([O-])C....
3 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
21 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
22 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
23 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
25 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
32 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
33 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
34 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
37 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
40 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
42 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
43 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 2W8Q - SIN C4 H6 O4 O=C([O-])C....
47 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 MLI 0.5 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W8Q; Ligand: SIN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2w8q.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2W8Q; Ligand: SIN; Similar sites found: 501
This union binding pocket(no: 2) in the query (biounit: 2w8q.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3V1U NAD 0.002643 0.45485 1.08225
2 2ZB4 5OP 0.03494 0.40701 1.12045
3 2ZB4 NAP 0.0337 0.40701 1.12045
4 2HXT EHM 0.004538 0.42699 1.13379
5 1R89 CTP 0.00448 0.42948 1.14416
6 3L24 GOA 0.004694 0.42094 1.23203
7 2XK9 XK9 0.01246 0.43283 1.24224
8 3WO0 ADP 0.002207 0.47212 1.2766
9 3WO0 ALA 0.002207 0.47212 1.2766
10 3TXO 07U 0.001136 0.45416 1.41643
11 1JIL 485 0.0004914 0.47997 1.42857
12 4WBD ADP 0.001355 0.42894 1.43737
13 1H2K OGA 0.003064 0.41761 1.43737
14 2Y0I AKG 0.005072 0.4115 1.43737
15 4IOK XPO 0.02501 0.40547 1.43737
16 4IOK ADP 0.03551 0.40228 1.43737
17 3TKA CTN 0.0001888 0.54197 1.44092
18 1C1L GAL BGC 0.005669 0.40261 1.45985
19 2C7G FAD 0.001911 0.49238 1.53509
20 2C7G ODP 0.001976 0.49084 1.53509
21 4QN7 G39 0.03619 0.41092 1.53846
22 1UXG FUM 0.02264 0.42404 1.61812
23 1UXG NAD 0.02264 0.42404 1.61812
24 3WE0 FAD 0.006062 0.45747 1.64271
25 1UKW FAD 0.006412 0.45033 1.64271
26 2DKH FAD 0.008792 0.43913 1.64271
27 2DKH 3HB 0.01419 0.43516 1.64271
28 4DXJ IPE 0.00309 0.42686 1.65746
29 4AQL TXC 0.0005257 0.47418 1.68067
30 3N5O GSH 0.004634 0.43292 1.70213
31 1O9U ADZ 0.001912 0.43898 1.71429
32 4M2K PLP 0.0007375 0.4543 1.72414
33 2A0W DIH 0.01006 0.43684 1.7301
34 4MWV BCZ 0.008497 0.44426 1.80412
35 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02972 0.41993 1.84805
36 2QDT I38 0.007335 0.41972 1.85874
37 1F8F NAD 0.02116 0.43766 1.88679
38 4O1M NAD 0.005192 0.44655 1.90476
39 5YAS FAC 0.0005502 0.4629 1.94553
40 4KQI RBZ 0.001293 0.47713 1.96629
41 4KQI NIO 0.001293 0.47713 1.96629
42 3HY3 10F 0.002016 0.45712 1.97044
43 2GSD NAD 0.03288 0.413 1.99005
44 3CEV ARG 0.0002893 0.40726 2.00669
45 1TOI HCI 0.004253 0.44939 2.0202
46 1TIW FAD 0.005154 0.45609 2.05339
47 1TIW TFB 0.005154 0.45609 2.05339
48 4OYA 1VE 0.02225 0.45551 2.05339
49 1YBH FAD 0.01065 0.4414 2.05339
50 4K5S PM0 0.01524 0.44134 2.05339
51 1YBH P22 0.007169 0.44104 2.05339
52 3DDN HPV 0.001593 0.43327 2.05339
53 4K5S FAD 0.0234 0.41823 2.05339
54 8CAT NDP 0.0126 0.41638 2.05339
55 2BNE U5P 0.003425 0.45977 2.07469
56 1TPY 16A 0.007779 0.42323 2.09059
57 2HGS ADP 0.0007012 0.47681 2.1097
58 2HGS GSH 0.007097 0.41821 2.1097
59 2QS8 MET 0.03205 0.40694 2.15311
60 2AEB ABH 0.02352 0.41867 2.17391
61 2BLE 5GP 0.007282 0.4645 2.17984
62 3P0K FAD 0.0003094 0.49344 2.25564
63 1Y7I SAL 0.0006287 0.45417 2.25873
64 2PYU IMP 0.001338 0.43656 2.28311
65 3WBF NAP 0.003468 0.45366 2.29508
66 3WBF API 0.01832 0.42347 2.29508
67 1Y42 TYR 0.0004892 0.41744 2.29592
68 1TUF AZ1 0.007998 0.43048 2.30415
69 4LZJ 22H 0.01884 0.41712 2.31023
70 3GE7 AFQ 0.00145 0.47738 2.33161
71 2C29 NAP 0.02629 0.42353 2.37389
72 2I4O ATP 0.002729 0.43198 2.40175
73 9LDT OXM 0.001806 0.44979 2.40964
74 3PJU C2E 0.004687 0.44452 2.40964
75 9LDB NAD 0.02933 0.41439 2.40964
76 9LDT NAD 0.03739 0.40909 2.40964
77 3B1F NAD 0.006891 0.43033 2.41379
78 1T57 FMN 0.012 0.41902 2.42718
79 3FPZ AHZ 0.01819 0.45295 2.45399
80 3OND ADN 0.00298 0.47667 2.46407
81 3OND NAD 0.00298 0.47667 2.46407
82 3F3E LEU 0.007193 0.44785 2.46407
83 3U4C NDP 0.0036 0.45287 2.4911
84 3VPD ANP 0.00441 0.43767 2.4911
85 1KOL NAD 0.04909 0.40524 2.51256
86 1CL2 PPG 0.00729 0.42571 2.53165
87 1JA9 NDP 0.02134 0.44494 2.55474
88 1JA9 PYQ 0.03105 0.40761 2.55474
89 2C4I BTN 0.02263 0.40294 2.58303
90 1D6H COA 0.003351 0.47044 2.58398
91 3ZRR PXG 0.001189 0.46221 2.60417
92 3UH0 TSB 0.01657 0.41396 2.6087
93 2GDZ NAD 0.0006092 0.4915 2.62172
94 3UCJ AZM 0.006758 0.41184 2.64317
95 4AMV F6R 0.0006127 0.46876 2.6694
96 4GYW UDP 0.005897 0.44641 2.6694
97 3AHC TPP 0.01739 0.4211 2.6694
98 2X61 CH 0.008527 0.43978 2.71318
99 2X61 NGA GAL SIA 0.04961 0.41957 2.71318
100 3WCS MAN NAG 0.0009521 0.44629 2.75591
101 3WCS MAN NAG GAL 0.001927 0.4387 2.75591
102 3AKK ADP 0.006924 0.42197 2.76923
103 2PUL ACP 0.003235 0.43591 2.77078
104 2QLX RM4 0.002349 0.41883 2.77778
105 1H2B NAJ 0.01495 0.42781 2.78552
106 1D3V ABH 0.02006 0.41291 2.78638
107 4A3R CIT 0.02145 0.42223 2.7907
108 3P7I P7I 0.0004342 0.41599 2.80374
109 1NW5 SAM 0.02115 0.40416 2.82132
110 1UZN NAP 0.01484 0.40575 2.83401
111 4HZX G39 0.01733 0.43081 2.83505
112 1C3V NDP 0.0008895 0.485 2.85714
113 2WQP WQP 0.002552 0.45712 2.87474
114 1Q3Q ANP 0.02887 0.43195 2.87474
115 1TO9 HMH 0.003223 0.41666 2.87474
116 1FMB HYB 0.008674 0.412 2.88462
117 2OYS FMN 0.001095 0.46585 2.89256
118 2YYJ FAD 0.01323 0.4614 2.9106
119 2YYJ 4HP 0.01323 0.4614 2.9106
120 3CL5 SIO 0.002498 0.4177 2.91777
121 1P9B IMO 0.001337 0.46724 2.94118
122 2YVF NAD 0.02708 0.43594 2.94118
123 2YVF FAD 0.02636 0.43594 2.94118
124 1P9B HDA 0.003187 0.42024 2.94118
125 2P41 G1G 0.00188 0.43637 2.95082
126 2P41 SAH 0.00847 0.42083 2.95082
127 2C31 ADP 0.02784 0.43989 2.99296
128 2C31 TZD 0.02849 0.43989 2.99296
129 3RFV NAI 0.0004627 0.49414 2.99625
130 3RFV 15L 0.001109 0.4744 2.99625
131 4LNL PLG 0.003966 0.42964 3.003
132 2F5T MAL 0.003793 0.43693 3.00429
133 2DTX BMA 0.006459 0.45224 3.0303
134 1XHL NDP 0.005098 0.44949 3.0303
135 2CSN CKI 0.004119 0.44569 3.0303
136 1V7W NDG 0.002975 0.43287 3.08008
137 1V7W NAG 0.002975 0.43287 3.08008
138 4P05 4NS 0.01559 0.41366 3.08008
139 1R18 SAH 0.005101 0.43646 3.0837
140 1U7Z PMT 0.01686 0.42525 3.09735
141 1PFK FBP 0.003151 0.42919 3.125
142 1PFK ADP 0.009462 0.41467 3.125
143 1Y9Q MED 0.002488 0.40696 3.125
144 3ZLM ANP 0.001063 0.46238 3.19149
145 1IUP ALQ 0.006917 0.44053 3.19149
146 2Q8H TF4 0.007289 0.41209 3.1941
147 3U1T MLI 0.002318 0.41907 3.23625
148 3K5X P8D 0.01314 0.40154 3.25
149 4NG2 OHN 0.01285 0.41911 3.26087
150 2X2T GAL NGA 0.0008516 0.41504 3.26797
151 3D3W NAP 0.001023 0.48205 3.27869
152 3FXU TSU 0.001433 0.46582 3.27869
153 1PR9 NAP 0.007704 0.44194 3.27869
154 3T2W BTN 0.003662 0.42629 3.27869
155 1LO0 BC1 0.004704 0.43636 3.28542
156 3UER BTU 0.00893 0.41143 3.28542
157 3UER TUR 0.00893 0.41143 3.28542
158 1DSS NAD 0.0034 0.44965 3.3033
159 4KSY 1SY 0.00879 0.40679 3.30579
160 3JDW ORN 0.001697 0.44865 3.30969
161 2J7T 274 0.002024 0.46491 3.31126
162 3PNL ADP 0.006283 0.43221 3.31754
163 1RRC ADP 0.02493 0.40403 3.32226
164 1GAD NAD 0.01256 0.42404 3.33333
165 1M5B BN1 0.002951 0.48341 3.42205
166 1II5 GLU 0.005669 0.4094 3.43348
167 3AHQ FAD 0.02811 0.40515 3.44086
168 3VKX T3 0.001816 0.45467 3.44828
169 3CBG SAH 0.006626 0.42379 3.44828
170 3CBG 4FE 0.001097 0.4001 3.44828
171 1GSA ADP 0.004442 0.46786 3.48101
172 1GSA GSH 0.005766 0.45667 3.48101
173 4F2Q QUS 0.0001992 0.48829 3.48837
174 3WKX FUB 0.0005388 0.44993 3.49076
175 1LCP PLU 0.001909 0.46156 3.5124
176 4CIB 7UZ 0.005129 0.41129 3.51648
177 1UJ5 5RP 0.009204 0.41084 3.52423
178 1NOW IFG 0.007047 0.40827 3.5503
179 3ZY6 GFB 0.003311 0.44347 3.59116
180 2B4Q NAP 0.002962 0.45833 3.62319
181 3TO7 COA 0.00712 0.44911 3.62319
182 1WUR 8DG 0.02159 0.40698 3.63636
183 2XVE FAD 0.01215 0.45423 3.66379
184 2J8Z NAP 0.01659 0.42085 3.67232
185 1V5F FAD 0.02642 0.46319 3.6961
186 1V5F TPP 0.02642 0.46319 3.6961
187 3Q9T FAY 0.01212 0.43761 3.6961
188 2ZJ5 ADP 0.0003559 0.42497 3.6961
189 1GJW GLC 0.005126 0.40447 3.6961
190 3H22 B53 0.004008 0.42943 3.7037
191 4AAW R84 0.03141 0.42443 3.7037
192 1QF5 GDP 0.000679 0.50931 3.7123
193 1QF5 RPL 0.000679 0.50931 3.7123
194 1NZY BCA 0.001124 0.47568 3.71747
195 2PT9 2MH 0.01031 0.43687 3.73832
196 2PT9 S4M 0.01031 0.42671 3.73832
197 1HEX NAD 0.005305 0.44338 3.76812
198 4G10 GSH 0.002699 0.43949 3.77358
199 2YD6 FLC 0.000001959 0.40653 3.77358
200 3NNF AKG 0.003009 0.40547 3.77907
201 4PO2 ASN ARG LEU LEU LEU THR GLY 0.005511 0.43489 3.82979
202 1Z44 NPO 0.02537 0.40193 3.84615
203 1Z42 HBA 0.02494 0.40153 3.84615
204 1C0I BE2 0.0004739 0.51525 3.85675
205 1C0I FAD 0.0004739 0.51525 3.85675
206 1Y13 BIO 0.001087 0.44975 3.8674
207 4BT5 23B 0.007902 0.40884 3.89105
208 1R37 NAD 0.006959 0.44526 3.90144
209 1R37 ETX 0.001852 0.42697 3.90144
210 2HGZ PBF 0.001134 0.47061 3.92157
211 3IHB GLU 0.004182 0.40822 3.94737
212 4A6D SAM 0.002753 0.44532 3.96601
213 3R35 4CO 0.008056 0.43858 3.97351
214 2PAR TMP 0.01651 0.43505 3.9801
215 2H6B 3C4 0.005154 0.44106 4
216 4TSK NDP 0.02753 0.43304 4
217 4LBP 1WG 0.04099 0.40171 4
218 4BAS GNP 0.02418 0.40308 4.0201
219 1GEX PLP HSA 0.01094 0.42549 4.10678
220 2NX1 PEP 0.00116 0.47502 4.11985
221 2NX1 RP5 0.002674 0.45765 4.11985
222 3O03 GCO 0.003316 0.43315 4.12371
223 1QS0 TDP 0.0106 0.41815 4.14201
224 4Q3R XA2 0.005395 0.44012 4.15584
225 3H86 AP5 0.003926 0.47431 4.16667
226 4I9A NCN 0.003259 0.45495 4.16667
227 4JCA CIT 0.006761 0.42196 4.19162
228 3QDT A2G GAL 0.002962 0.42198 4.1958
229 3QDY CBS 0.005252 0.40402 4.1958
230 3QDY A2G GAL 0.008895 0.40085 4.1958
231 3CL7 HYN 0.00101 0.473 4.22078
232 4BI7 PGA 0.00376 0.42309 4.28016
233 4R33 SAH 0.001535 0.47618 4.28571
234 4R33 TRP 0.001535 0.47618 4.28571
235 2R42 FPS 0.0008784 0.46829 4.3038
236 1ZFJ IMP 0.04406 0.41375 4.31212
237 3MBG FAD 0.007189 0.43418 4.31655
238 4LXH C1E 0.0007207 0.46791 4.33213
239 1E7S NAP 0.03364 0.40936 4.36137
240 2YHW BM3 0.04948 0.40694 4.37318
241 1X54 4AD 0.008794 0.42852 4.37788
242 1B9I PXG 0.0121 0.42043 4.38144
243 1NX4 AKG 0.003951 0.4162 4.3956
244 1FDJ 13P 0.001122 0.43987 4.40771
245 1FDJ 2FP 0.003351 0.43055 4.40771
246 1ZUW DGL 0.0009184 0.45009 4.41176
247 1UWZ THU 0.00417 0.43089 4.41176
248 3RHZ UDP 0.00474 0.43247 4.42478
249 3OIG NAD 0.01764 0.44445 4.51128
250 3OIG IMJ 0.01082 0.43471 4.51128
251 4C0C WVH 0.01059 0.44611 4.51745
252 1Y4Z PCI 0.001862 0.42309 4.51745
253 1R27 MGD 0.03241 0.4143 4.51745
254 2V5K OXM 0.006957 0.41511 4.52962
255 1IYE PGU 0.00286 0.46041 4.53074
256 3SSO SAH 0.01611 0.41138 4.53461
257 1D09 PAL 0.03451 0.44733 4.57516
258 2HEK GDP 0.00599 0.41677 4.58221
259 2IUW AKG 0.00468 0.41889 4.62185
260 1XVV CCQ 0.007509 0.44897 4.65686
261 3ZS7 ATP 0.001097 0.46772 4.66667
262 1BTN I3P 0.003163 0.45516 4.71698
263 1DLJ UGA 0.0009397 0.50398 4.72279
264 1DLJ NAI 0.001832 0.48918 4.72279
265 3UR0 SVR 0.03226 0.4215 4.72279
266 1O6B ADP 0.0463 0.41343 4.73373
267 1P72 THM 0.000689 0.45243 4.79042
268 1P72 ADP 0.006811 0.44212 4.79042
269 3QWI NAP 0.03803 0.41033 4.81482
270 2VBQ BSJ 0.002786 0.46477 4.84848
271 1KBJ FMN 0.009169 0.42915 4.85437
272 2HMT NAI 0.03391 0.42272 4.86111
273 2VWT PYR 0.006138 0.40115 4.86891
274 4B16 NAG 0.00714 0.42081 4.88722
275 1GVF PGH 0.008702 0.40426 4.8951
276 3RO7 TDR 0.01948 0.41619 4.90566
277 1Q0H NDP 0.009957 0.45 4.92611
278 1Q0H FOM 0.01189 0.44443 4.92611
279 1UBY DMA 0.002182 0.44589 4.92813
280 3ZGE ASP 0.001726 0.43235 4.92813
281 4IVG ANP 0.03103 0.42619 4.92813
282 2AMV BIN 0.03769 0.42181 4.92813
283 1BGQ RDC 0.02493 0.40873 4.92813
284 2VQ5 HBA 0.003708 0.41043 4.97512
285 2VQ5 LDP 0.008618 0.40872 4.97512
286 3WQM B29 0.04186 0.4021 4.98339
287 1OTH PAO 0.001935 0.46998 4.98442
288 2XDQ MGX 0.0001797 0.4864 5
289 2P1M IHP 0.002011 0.46049 5
290 4NTD FAD 0.01869 0.42821 5
291 1B66 BIO 0.02854 0.40124 5
292 3MB5 SAM 0.04879 0.41596 5.09804
293 2BZ1 TAU 0.001314 0.46779 5.10204
294 1XNK XS2 0.01147 0.41085 5.10204
295 3LZW NAP 0.04896 0.42049 5.12048
296 4NAO AKG 0.002465 0.41794 5.13347
297 3L1N PLM 0.01189 0.41403 5.15464
298 3CQD ATP 0.01257 0.43581 5.17799
299 1KHT AMP 0.002336 0.43221 5.20833
300 1YOE RIB 0.001657 0.4388 5.2795
301 2RHW C0E 0.02667 0.41586 5.30035
302 3SQG COM 0.005207 0.42748 5.31178
303 4P3H 25G 0.0004503 0.51533 5.33881
304 3NJQ NJQ 0.005241 0.42516 5.33881
305 4AIG FLX 0.01248 0.40254 5.33881
306 3Q3C NAD 0.02296 0.43441 5.35117
307 4IS0 GDS 0.007005 0.42269 5.39419
308 4IS0 1R4 0.02041 0.40813 5.39419
309 2HVW DDN 0.001 0.45666 5.43478
310 2HVW DCP 0.001595 0.44751 5.43478
311 3IO3 ADP 0.001615 0.45401 5.45977
312 1Y1A GSH 0.001614 0.46566 5.46448
313 4LWA Q13 0.01456 0.43459 5.50964
314 4USQ FAD 0.001515 0.47773 5.54017
315 1FIQ FAD 0.0002847 0.51328 5.54415
316 4HA6 FAD 0.0007462 0.50325 5.54415
317 1FIQ SAL 0.003258 0.45896 5.54415
318 1FIQ MTE 0.009803 0.43319 5.54415
319 4HA6 PXM 0.003228 0.42 5.54415
320 1RY2 AMP 0.02442 0.40881 5.54415
321 2CDU FAD 0.04854 0.40566 5.54415
322 1NN5 ANP 0.006486 0.44188 5.5814
323 1NN5 2DT 0.006486 0.44188 5.5814
324 4N02 FNR 0.02294 0.43443 5.60224
325 1OIK C26 0.006423 0.42235 5.64784
326 1OIK AKG 0.007155 0.40181 5.64784
327 1VR0 3SL 0.004317 0.42044 5.66802
328 2EFJ SAH 0.005224 0.42853 5.72917
329 2EFJ 37T 0.003497 0.42159 5.72917
330 4I71 AGV 0.0005993 0.47383 5.75758
331 2PWY SAH 0.002745 0.45081 5.81395
332 2OI2 DP6 0.0002967 0.47774 5.82192
333 2Q97 ATP 0.009688 0.42338 5.86667
334 4C0X FMN 0.0007518 0.48244 5.91133
335 4C0X AQN 0.02734 0.41268 5.91133
336 1J5P NAD 0.009651 0.4309 5.92885
337 1QB7 ADE 0.003494 0.4272 5.9322
338 1ECC PCP 0.0008951 0.4737 5.95483
339 4W97 UCA 0.01493 0.4176 6
340 2PFC PLM 0.0003893 0.47245 6.01093
341 2FWP CIT 0.02145 0.41784 6.01093
342 3F81 STT 0.008522 0.40895 6.01093
343 4G1V FAD 0.01114 0.42789 6.01504
344 2V7T SAH 0.003211 0.49755 6.02007
345 3S2Y FMN 0.003025 0.44146 6.03015
346 4DVE BTN 0.004323 0.42308 6.06061
347 3RKR NAP 0.005879 0.41713 6.10687
348 3ICC NAP 0.002144 0.46781 6.27451
349 2F01 BTN 0.007183 0.46812 6.29921
350 2F01 BTQ 0.03924 0.42916 6.29921
351 3TCT 3MI 0.03394 0.42559 6.29921
352 4ARF IP8 GLY PRO ALA 0.01036 0.41288 6.34518
353 1CKN GTP 0.0009491 0.44947 6.36364
354 2PNZ UDP 0.01499 0.41895 6.3655
355 1YAG ATP 0.01401 0.41741 6.4
356 2F7C CCU 0.007736 0.40354 6.43777
357 1ZGA SAH 0.003756 0.43071 6.44258
358 1ZGA HMK 0.003731 0.42846 6.44258
359 3PFG SAM 0.0162 0.43322 6.46388
360 3PFG TLO 0.0162 0.43322 6.46388
361 3GEG NAD 0.01365 0.42365 6.47773
362 2WM1 13P 0.002182 0.43055 6.54762
363 1NVU GTP 0.006368 0.46465 6.62651
364 4FGC PQ0 0.004559 0.4135 6.66667
365 1FP1 SAH 0.001187 0.4557 6.72043
366 1FP1 HCC 0.009505 0.41852 6.72043
367 1R5A GTS 0.009513 0.40527 6.88073
368 3HQJ COA 0.009258 0.41905 6.92308
369 3QQA TCH 0.006215 0.43244 6.94444
370 1L1Q 9DA 0.002613 0.44637 6.98925
371 2YC5 6BC 0.001513 0.47899 7.01754
372 2H6T IVA VAL VAL STA ALA STA 0.01398 0.4089 7.05882
373 1M1B SPV 0.002354 0.42594 7.11864
374 2QQF A1R 0.01091 0.42556 7.14286
375 3IL6 B83 0.001538 0.45703 7.16511
376 1WHT BZS 0.00262 0.42052 7.18954
377 1NU4 MLA 0.00645 0.43248 7.2165
378 4NES UDP 0.004827 0.4301 7.21925
379 4NES UD1 0.006639 0.42572 7.21925
380 1H8P PC 0.005625 0.41731 7.33945
381 2D37 NAD 0.01912 0.41658 7.38636
382 2D37 FMN 0.01795 0.41658 7.38636
383 2YK7 CSF 0.002459 0.44759 7.3922
384 2BO4 FLC 0.002361 0.41873 7.3922
385 2A1L PCW 0.02771 0.42321 7.40741
386 2HHJ DG2 0.01571 0.40101 7.49064
387 3LTW HLZ 0.00102 0.41934 7.5
388 3A2Q ACA ACA 0.003208 0.43824 7.50507
389 1WVG CXY 0.002425 0.4516 7.52089
390 3DAG FEG 0.001484 0.46676 7.5419
391 3IB8 AMP 0.007085 0.41824 7.57576
392 2CKM AA7 0.006288 0.45479 7.59754
393 2Y7P SAL 0.0006619 0.40876 7.59754
394 1P9P SAH 0.00569 0.43423 7.66284
395 2YGN PCF 0.004325 0.44904 7.69231
396 4COQ SAN 0.0006134 0.43041 7.69231
397 1T26 NAI 0.01614 0.46144 7.76398
398 1T26 GBD 0.01614 0.46144 7.76398
399 4ME6 ADP 0.002367 0.42583 7.77202
400 1H9G COA MYR 0.01668 0.41811 7.81893
401 1LTH NAD 0.02595 0.43165 7.83699
402 1V2G OCA 0.005906 0.4195 7.89474
403 4TMK T5A 0.02421 0.45702 7.98122
404 4LFL TG6 0.001567 0.44269 8.02469
405 1OAA OAA 0.02179 0.42936 8.10811
406 4HZD COA 0.02573 0.41831 8.15603
407 2AMT 1AA 0.02665 0.40986 8.1761
408 1TU3 GNP 0.001877 0.46191 8.18713
409 1IM8 SAI 0.0007217 0.47428 8.19672
410 1A8R GTP 0.01331 0.41355 8.21355
411 2D0V PQQ 0.005115 0.43285 8.33333
412 2PTZ PAH 0.005894 0.42405 8.33333
413 1B8U OAA 0.003939 0.45495 8.41889
414 3OZG SSI 0.002367 0.44209 8.41889
415 1B8U NAD 0.01069 0.41972 8.41889
416 1XX4 BAM 0.006418 0.41466 8.42912
417 1OFH ADP 0.005854 0.43843 8.62069
418 4C1K PEP 0.005581 0.41271 8.62423
419 4LTN FMN 0.04085 0.41543 8.62944
420 4PLG NAI 0.01066 0.43936 8.68263
421 4PLG OXM 0.01066 0.43936 8.68263
422 2ALG HP6 0.003363 0.44315 8.69565
423 2ALG DAO 0.003363 0.44315 8.69565
424 1I7L ATP 0.00994 0.42446 8.73786
425 1V2X SAM 0.0007237 0.47219 8.76289
426 3I0O SMI 0.000551 0.41611 8.82957
427 3E4O SIN 0.005921 0.40858 8.85246
428 2W1A TSA 0.002857 0.43109 8.88889
429 4INB 1F6 0.0007545 0.47135 8.90411
430 2E1A MSE 0.0005902 0.40021 9.33333
431 1SOW NAD 0.01202 0.43131 9.45122
432 3BL6 FMC 0.008283 0.42128 9.56522
433 2EWM NAD 0.001165 0.47933 9.63855
434 2BGM NAJ 0.01689 0.44412 9.71223
435 2BGM MAX 0.02708 0.40526 9.71223
436 1V35 NAI 0.01167 0.4413 9.72644
437 4G28 0W8 0.0001541 0.41955 9.80392
438 1I7Q BEZ 0.01716 0.40001 9.84456
439 1Z45 GAL 0.0004715 0.4142 9.85626
440 1OGD RIP 0.001065 0.40011 9.92366
441 1T8U UAP SGN IDS SGN 0.0172 0.43001 9.92647
442 1T8U A3P 0.006705 0.42739 9.92647
443 4DQ2 BTX 0.001619 0.46958 10.061
444 4WNB 4BN 0.0003961 0.4798 10.0775
445 1YS4 NAP 0.01999 0.40857 10.1695
446 2WE5 ADP 0.001691 0.44636 10.2669
447 4KCF FMN 0.005085 0.42697 10.2669
448 4KCF AKM 0.01052 0.4233 10.2669
449 3C1O NAP 0.03469 0.4001 10.2804
450 2NLI FMN 0.01971 0.44062 10.3261
451 3MCT SAH 0.005206 0.43431 10.4377
452 1SS4 GSH 0.001111 0.48118 10.4575
453 1SS4 CIT 0.04195 0.40382 10.4575
454 4M5P MLA 0.002077 0.44685 10.4723
455 4M5P 23W 0.003465 0.41897 10.4723
456 2YBQ UP2 0.008845 0.44234 10.6164
457 2YBQ SAH 0.01113 0.41717 10.6164
458 1SBZ FMN 0.0284 0.41299 10.6599
459 4UBP HAE 0.009179 0.42194 10.8911
460 3KJI ADP 0.009672 0.41424 11.0236
461 1O0D 163 0.009844 0.4159 11.1111
462 1C4U IH1 0.01934 0.40511 11.1111
463 2H92 C5P 0.02198 0.40202 11.4155
464 1PL6 572 0.008072 0.44095 11.5169
465 1PL6 NAD 0.03024 0.40005 11.5169
466 1F7L COA 0.03762 0.40855 11.5702
467 1JUV NDP 0.0221 0.41224 11.9171
468 1TDF NAP 0.002841 0.49248 12.0253
469 1TDF FAD 0.002123 0.48325 12.0253
470 3GWT 066 0.01232 0.42959 12.1813
471 3RGG AIR 0.005739 0.4176 12.5786
472 1H8G CHT 0.01492 0.41381 12.6316
473 2WCV FUC 0.002918 0.42795 12.8571
474 3DDC GNP 0.002905 0.4529 12.8834
475 3UIE ADX 0.0001186 0.49844 13
476 1F1V DHY 0.00009521 0.42756 13.3127
477 2GJ3 FAD 0.001155 0.4788 13.3333
478 3TA2 AKG 0.002909 0.45733 13.5593
479 1OLS TDP 0.007662 0.45323 13.7427
480 1FA2 DOM 0.02004 0.41687 13.963
481 2NZU BG6 0.006014 0.41129 14.2857
482 3S9K CIT 0.00006744 0.55448 14.4068
483 2W2X GSP 0.02357 0.40678 14.5946
484 1ZBQ NAD 0.03061 0.41525 14.9847
485 1VDC FAD 0.0203 0.43419 15.3153
486 1YGC 905 0.02074 0.40455 15.3543
487 2HW1 ANP 0.01032 0.42043 15.4362
488 3SVL FMN 0.01493 0.40758 15.544
489 1VBH PEP 0.004684 0.413 15.6057
490 4BMO FMN 0.0007719 0.48024 15.9664
491 1RZM E4P 0.0001956 0.46449 15.9763
492 1UAY ADN 0.002239 0.44086 16.9421
493 1JGS SAL 0.003119 0.44862 17.3913
494 1UO5 PIH 0.005605 0.43561 17.6471
495 2V5E SCR 0.003123 0.43825 17.8218
496 4LSJ LSJ 0.002358 0.45034 18.9922
497 4LH0 GLV 0.0006086 0.51341 31.2115
498 4GQB 0XU 0.006512 0.46263 31.8182
499 2XUM OGA 0.002024 0.42532 35
500 4OE4 NAD 0.0326 0.40834 40.6571
501 3SZB I1E 0.002938 0.41798 40.8624
Pocket No.: 3; Query (leader) PDB : 2W8Q; Ligand: SIN; Similar sites found: 143
This union binding pocket(no: 3) in the query (biounit: 2w8q.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.001033 0.4575 None
2 2Z9V PXM 0.005921 0.41252 1.27551
3 2VJJ RAM GLC GAL NAG NAG GLC 0.002602 0.42624 1.43737
4 4AF0 MOA 0.00006446 0.41985 1.43737
5 4KCT PYR 0.007266 0.40396 1.43737
6 1H2M OGA 0.0177 0.40231 1.43737
7 5EQU AKG 0.02108 0.41007 1.63934
8 1YHM AHD 0.009952 0.40811 1.65746
9 3VCA PRO 0.0003426 0.46756 1.69903
10 2Q1A 2KT 0.00005227 0.43405 1.70648
11 1I2B UPG 0.000119 0.51578 1.73267
12 1I2B NAD 0.000119 0.51578 1.73267
13 1I2B USQ 0.000119 0.51578 1.73267
14 4RJK PYR 0.009698 0.42642 1.84805
15 4M51 BEZ 0.0114 0.42301 1.87354
16 4PB2 5UD 0.0002568 0.42936 1.88679
17 3VHZ SOG 0.009611 0.41244 1.9084
18 2F2U M77 0.002531 0.41733 1.99005
19 1Z6K OAA 0.00002005 0.49566 2.04778
20 4O8A 2OP 0.006555 0.44214 2.05339
21 3W54 RNB 0.002975 0.40542 2.12766
22 1JQ5 NAD 0.004399 0.45135 2.16216
23 3VGL BGC 0.00004221 0.40361 2.18069
24 1V8K ANP 0.000001983 0.4258 2.19512
25 3I6B KDO 0.008718 0.4055 2.22222
26 2Z5Y HRM 0.0000006736 0.45229 2.25873
27 3NOJ PYR 0.003703 0.42379 2.25873
28 4Q0A 4OA 0.0009849 0.40964 2.31788
29 1LDM OXM 0.0009013 0.43484 2.43161
30 3E81 SLB 0.002151 0.43682 2.43902
31 3FS8 ACO 0.01638 0.4134 2.5641
32 4QDC ASD 0.0000809 0.40444 2.5641
33 4M7F BM3 0.003893 0.42011 2.65487
34 1MG1 MAL 0.001086 0.40808 2.66667
35 4W6Z ETF 0.02195 0.40922 2.6694
36 2OFE NAG 0.005453 0.42523 2.8169
37 2OFD NGA 0.01177 0.41027 2.8169
38 1FX8 BOG 0.00112 0.41195 2.84698
39 1I9G SAM 0.000001082 0.54862 2.85714
40 1WDA BAG 0.003471 0.41691 2.87474
41 3BHO B4P 0.03048 0.41525 2.88462
42 1V1A ADP 0.001069 0.41832 2.91262
43 1A8S PPI 0.0002528 0.45336 2.9304
44 3K3G MMU 0.003558 0.42452 2.94118
45 1W55 C 0.002464 0.42581 2.96496
46 4AP9 1PS 0.0004168 0.41787 2.98507
47 2NZ2 ASP 0.001403 0.43858 3.08008
48 4LIT AKG 0.01355 0.40231 3.08008
49 1I1Q TRP 0.003243 0.4181 3.125
50 3CXO 1N5 0.00006355 0.46414 3.13253
51 3CXO 3LR 0.0002512 0.44011 3.13253
52 1A5Z OXM 0.00001069 0.56883 3.1348
53 1JH7 UVC 0.002416 0.43465 3.1746
54 2VAR KDF 0.00338 0.40776 3.19489
55 2ZO9 MLI 0.0004769 0.44277 3.28467
56 2YIV YIV 0.0161 0.41576 3.28542
57 3B9Z CO2 0.01308 0.40821 3.35052
58 1O7N IND 0.0003175 0.40996 3.60825
59 4LCQ URQ 0.000008159 0.42005 3.6961
60 2DUA OXL 0.00116 0.40325 3.6961
61 3K9W ADE 0.003411 0.44544 3.74332
62 3K9W 4PS 0.003411 0.44544 3.74332
63 1OMZ UD2 0.001184 0.43383 3.75427
64 1JN2 SFP 0.005148 0.46986 3.79747
65 1QJC PNS 0.0145 0.40038 3.79747
66 3P47 CYS 0.003449 0.41702 3.80952
67 2TOH HBI 0.0001584 0.43995 3.90144
68 1SC3 MLI 0.00432 0.44337 3.93258
69 3F8C HT1 0.01092 0.40637 3.96825
70 3EM1 TYD 0.001896 0.40263 4.10959
71 3O03 NAP 0.0005748 0.45659 4.12371
72 1RYD GLC 0.005964 0.42349 4.13437
73 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.00226 0.42854 4.16667
74 1SJW NGV 0.002668 0.4029 4.16667
75 1GPJ CIT 0.01318 0.40806 4.20792
76 1V6A TRE 0.0029 0.43123 4.21687
77 2OWZ CIT 0.01691 0.4032 4.21687
78 1X8X TYR 0.001799 0.42312 4.34783
79 1XIU REA 0.00239 0.40052 4.34783
80 1XE7 GUN 0.04322 0.40065 4.4335
81 1WVC CTP 0.0008794 0.46453 4.6332
82 1NML CIT 0.01031 0.40246 4.90798
83 2ZSC BTN 0.00351 0.40277 4.96454
84 4EKV BTN 0.00009053 0.46185 5.03145
85 4E28 9MZ 0.008261 0.41716 5.23077
86 1RYI GOA 0.0147 0.43791 5.2356
87 5DUB GLY 5GG GLY ALA 0.02797 0.40711 5.54415
88 3SUC ATP 0.005552 0.40416 5.54415
89 1G8S MET 0.01955 0.40036 5.54415
90 1Y0L HAN 0.01146 0.43774 5.55556
91 2PJL 047 0.0003688 0.44097 5.66802
92 1EDO NAP 0.00000278 0.55495 5.7377
93 1MVN PCO 0.003409 0.42662 5.74163
94 1T0S BML 0.001944 0.46008 5.81395
95 2Q3M MLA 0.00875 0.43582 5.82822
96 1XMV ADP 0.000273 0.46444 5.89888
97 2FWP ICR 0.00003017 0.4818 6.01093
98 1ECM TSA 0.002948 0.41977 6.42202
99 5DRN 5CT 0.01806 0.42352 6.57084
100 1JQN DCO 0.000002679 0.41693 6.57084
101 3EJ0 11X 0.007151 0.41166 6.63265
102 3I8T LBT 0.0007311 0.45037 6.70732
103 4Q3F TLA 0.0006608 0.46614 6.83761
104 3RF4 FUN 0.00427 0.41844 6.89655
105 2YLD CMO 0.01105 0.41149 7.08661
106 1ML4 PAL 0.0002829 0.40358 7.14286
107 2J5S KTA 0.0001792 0.43464 7.22433
108 1X1T NAD 0.0007757 0.46046 7.30769
109 1SAZ ACP 0.004111 0.43429 7.34908
110 4AF5 CIT 0.007932 0.41795 7.36842
111 1JOT GAL A2G 0.003452 0.41206 7.5188
112 2WL9 MBD 0.00002082 0.43902 7.54098
113 4LKK SIA GAL 0.0002619 0.42907 8.33333
114 4LO6 SIA GAL 0.00005025 0.53102 8.42105
115 4CCN OGA 0.0101 0.41325 8.57143
116 4LTN NAI 0.0004633 0.45294 8.62944
117 2JE7 XMM 0.0005745 0.42446 8.78661
118 2NT8 ATP 0.002017 0.40875 8.96861
119 4LHM AZZ 0.007151 0.41432 9.09091
120 3KMT SAH 0.001536 0.41598 9.2437
121 3HZS M0E 0.003503 0.41451 9.56938
122 3NGU ADP 0.003794 0.40153 9.93377
123 3MAG 3MA 0.009558 0.4419 10.0977
124 3SCH TB6 0.00174 0.44739 10.101
125 43CA NPO 0.01135 0.44992 10.2564
126 4EXO PYR 0.02582 0.40578 10.274
127 2NLI LAC 0.00005435 0.48984 10.3261
128 1H16 PYR 0.004449 0.44275 10.4723
129 2HVK TBA 0.00007464 0.50838 10.4839
130 1Y7P RIP 0.009962 0.41351 10.7623
131 1WKL ATP 0.0006077 0.41672 10.9489
132 1WKL ADP 0.00155 0.40299 10.9489
133 1TUV VK3 0.02539 0.41243 11.4035
134 4JWX 1N4 0.01015 0.40274 11.7857
135 1Y75 NAG 0.004641 0.41182 11.8644
136 3BY8 MLT 0.007514 0.42509 11.9718
137 1UQX MMA 0.0001247 0.44347 12.3894
138 1MQ0 BRD 0.002268 0.40975 15.7143
139 1UO4 PIH 0.01938 0.42569 17.6471
140 1R0X ATP 0.0004017 0.43896 20.2797
141 1NXJ GLV 0.0006423 0.44644 23.4973
142 1NXJ TLA 0.0007425 0.42042 23.4973
143 4B7E OGA 0.01263 0.40364 41.1765
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