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Receptor
PDB id Resolution Class Description Source Keywords
5EPO 2 Å EC: 1.-.-.- THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSONUM 7ALPH HYDROXYSTEROID DEHYDROGENASE CLOSTRIDIUM SARDINIENSE OXIDOREDUCTASE ACTIVITY METABOLIC PROCESS OXIDOREDUCTASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSO ALPHA-HYDROXYSTEROID DEHYDROGENASE: NEW INSIGHTS IN CONSERVED ARGININES FOR NADP(H) RECOGNITION SCI REP V. 6 22885 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TUD B:302;
A:302;
C:302;
D:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
499.704 C26 H45 N O6 S C[C@H...
NAP A:301;
D:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
GOL C:303;
B:303;
A:303;
D:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EPO 2 Å EC: 1.-.-.- THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSONUM 7ALPH HYDROXYSTEROID DEHYDROGENASE CLOSTRIDIUM SARDINIENSE OXIDOREDUCTASE ACTIVITY METABOLIC PROCESS OXIDOREDUCTASE
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF CLOSTRIDIUM ABSO ALPHA-HYDROXYSTEROID DEHYDROGENASE: NEW INSIGHTS IN CONSERVED ARGININES FOR NADP(H) RECOGNITION SCI REP V. 6 22885 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1GEG - GLC C6 H12 O6 C([C@@H]1[....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
21 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
22 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
23 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
24 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
25 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1IPF - TNE C8 H13 N O CN1[C@H]2C....
27 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
29 6CI9 - F3V C3 H7 N O CC(=O)CN
30 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
34 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
35 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
36 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
37 5ICM - GLC C6 H12 O6 C([C@@H]1[....
38 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
39 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
42 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
52 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
54 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
63 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
67 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
68 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
69 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
70 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
71 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
75 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
76 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
77 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TUD; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 TUD 1 1
2 5D5 1 1
3 CHO 0.761364 0.657143
4 TCH 0.653061 0.985075
5 7CW 0.648148 0.620253
6 6SB 0.548077 1
7 1N7 0.491667 0.846154
8 GCH 0.485981 0.657143
9 CPS 0.483051 0.842105
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EPO; Ligand: NAP; Similar sites found with APoc: 277
This union binding pocket(no: 1) in the query (biounit: 5epo.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 1GXU 2HP None
3 2XVM SAH 1.50754
4 4NEC SAH 1.52672
5 1P77 ATR 1.52672
6 5W7M SAH 1.9084
7 3S6X SIA GAL BGC 1.9084
8 1GAD NAD 1.9084
9 4ZVV GN0 1.9084
10 4ZVV NAD 1.9084
11 5LD5 NAD 1.9084
12 4HXY NDP 2.29008
13 1RKX NAD 2.29008
14 5NM7 GLY 2.29008
15 1R6D NAD 2.29008
16 1DSS NAD 2.29008
17 1R6D DAU 2.29008
18 1NLU IVA PHI TYB 2.29008
19 3X01 AMP 2.29008
20 2GCG NDP 2.29008
21 3FJG 3PG 2.39044
22 4U00 ADP 2.45902
23 6EL3 NAP 2.67176
24 4GLL NAD 2.67176
25 3KO8 NAD 2.67176
26 1YS4 NAP 2.67176
27 1EQ2 NAP 2.67176
28 2GZ3 NAP 2.67176
29 2AWN ADP 2.67176
30 1LVW TYD 2.67176
31 3V1Y NAD 2.67176
32 2FZW NAD 2.67176
33 2C29 DQH 3.05344
34 4PVD NDP 3.05344
35 5IN4 6CK 3.05344
36 5IN4 GDP 3.05344
37 5IN4 NAP 3.05344
38 2Q1W NAD 3.05344
39 6APL C5P 3.05344
40 1ZPD CIT 3.05344
41 5H81 NAP 3.05344
42 2A14 SAH 3.05344
43 1YID ATP 3.05344
44 2C29 NAP 3.05344
45 2CBZ ATP 3.37553
46 5OOH 9ZZ 3.39806
47 5OOH NAP 3.39806
48 4TQG NDP 3.43511
49 2X7I CIT 3.43511
50 3H9E NAD 3.43511
51 3G2O SAM 3.43511
52 5W7K SAH 3.43511
53 3CIF G3H 3.43511
54 4Z0H NAD 3.43511
55 3CIF NAD 3.43511
56 5A7C 5D4 3.53982
57 3GD8 GOL 3.58744
58 1I2B NAD 3.71287
59 1I2B USQ 3.71287
60 1I2B UPG 3.71287
61 2VYN NAD 3.81679
62 1SQF SAM 3.81679
63 1R37 NAD 3.81679
64 4JLS 3ZE 3.94737
65 5LXB 7A9 4.13223
66 6D6Y SAH 4.19847
67 5K4W NAI 4.19847
68 5K4W THR 4.19847
69 1I36 NAP 4.19847
70 2X6T NAP 4.20168
71 1E5Q NDP 4.58015
72 1DNP MHF 4.58015
73 6BII NAP 4.58015
74 5MPT SAH 4.96183
75 2P9H IPT 4.96183
76 4DPL NAP 5.29248
77 5MLR NAP 5.34351
78 5MLR GRQ 5.34351
79 5ZEC NAP 5.34351
80 1E7S NAP 5.34351
81 1GY8 NAD 5.34351
82 3QDK QDK 5.34351
83 1WVG APR 5.34351
84 5Z3I ADE 5.34351
85 4ZRN UPG 5.72519
86 4ZRN NAD 5.72519
87 2B4R NAD 5.72519
88 2B4R AES 5.72519
89 1H2B NAJ 5.72519
90 3KDM TES 5.77778
91 2W5P CL8 6.04027
92 2VUT NAD 6.10687
93 5O9F NAD 6.10687
94 5O9F 9ON 6.10687
95 1KEW NAD 6.10687
96 5JGL SAM 6.10687
97 1KEW TYD 6.10687
98 1TI7 NAP 6.10687
99 1BXK NAD 6.10687
100 2PZE ATP 6.11354
101 4LHD GLY 6.48855
102 1N7G NDP 6.48855
103 1N7G GDR 6.48855
104 2YY7 NAD 6.48855
105 2Q1S NAI 6.48855
106 5JAQ NAI 6.48855
107 5ME4 HP4 6.48855
108 1Z45 NAD 6.48855
109 3LE7 ADE 6.51341
110 2FR1 NDP 6.58436
111 2GN4 NDP 6.87023
112 2GN4 UD1 6.87023
113 6G1O GLV 6.87023
114 6AMI TRP 6.87023
115 4Z7X 3CX 7.14286
116 1RPN NDP 7.63359
117 6BWL NAD 7.63359
118 1SB8 NAD 7.63359
119 1SB8 UD2 7.63359
120 2HK9 ATR 7.63359
121 5DF1 58X 7.63359
122 5DF1 NAP 7.63359
123 1B0U ATP 8.01527
124 1CER NAD 8.01527
125 4XZ3 COA 8.01527
126 1JJ7 ADP 8.07692
127 5Z21 NAI 8.10056
128 4U7W NDP 8.39695
129 4EUE NAI 8.39695
130 1ORR NAD 8.39695
131 1V35 NAI 8.39695
132 3A4V PYR 8.39695
133 3A4V NAD 8.39695
134 2C5A NAD 8.77863
135 2C5A GDC 8.77863
136 4KIB SAH 8.77863
137 1OC2 NAD 8.77863
138 1OC2 TDX 8.77863
139 3CF6 SP1 8.77863
140 3BXO SAM 8.78661
141 1EYQ NAR 9.90991
142 4G5H UD7 9.92366
143 4G5H NAP 9.92366
144 2Q46 NAP 10.2767
145 5XWV NDP 10.4839
146 5XWV 8H6 10.4839
147 6DNT NAD 10.687
148 4PIV NDP 11.0687
149 1KYZ SAH 11.0687
150 3ABI NAD 11.4504
151 2DBZ NAP 11.6766
152 1HYH NAD 12.5954
153 5EIN NAP 12.963
154 5LUB 3Y7 13.7405
155 5MSO NAP 14.1221
156 4J1Q NDP 14.5038
157 3LU1 NAD 14.8855
158 1WMA NDP 15.6489
159 1WMA AB3 15.6489
160 1UDB UFG 15.6489
161 1UDB NAD 15.6489
162 5AHO TLA 16.0305
163 1FK8 NAD 16.3424
164 1N5D NDP 16.7939
165 5BJX NAD 16.7939
166 5BJX UDP 16.7939
167 1EK6 NAI 17.1756
168 1EK6 UPG 17.1756
169 2DKN NAI 17.6471
170 1HDR NAD 18.0328
171 5Y1G NAD 19.4656
172 5Y1G AKB 19.4656
173 5UAV TFB 19.8473
174 5UAV NDP 19.8473
175 3WXB NDP 22.9008
176 4O1M NAD 23.6641
177 5L4S NAP 25.1908
178 5L4S 6KX 25.1908
179 3ORF NAD 26.2948
180 1NNU NAD 26.6667
181 1NNU TCT 26.6667
182 4OHU 2TK 28.626
183 4OHU NAD 28.626
184 1A27 NAP 30.5344
185 1Y1P NMN AMP PO4 30.5344
186 3HB5 NAP 30.5344
187 4Q9N NAI 30.916
188 2EXX NAP 30.916
189 1D7O NAD 31.6794
190 1D7O TCL 31.6794
191 3RJ5 NAD 31.8898
192 3O26 NDP 33.2061
193 1OAA OAA 33.5907
194 1Z6Z NAP 34.7328
195 4J7U NAP 34.7328
196 4J7U YTZ 34.7328
197 2BKA NDP 35.5372
198 1XSE NDP 37.0229
199 4K26 SFF 37.4046
200 4K26 NDP 37.4046
201 3CH6 NAP 38.1679
202 3CH6 311 38.1679
203 2BD0 NAP 39.7541
204 1E3W NAD 40.2299
205 4D42 NAP 40.8397
206 4D42 W0I 40.8397
207 1U7T TDT 40.9962
208 1U7T NAD 40.9962
209 5OVL NAP 42.3664
210 3RKR NAP 42.3664
211 3ZV6 NAD 43.1298
212 3ZV6 4HB 43.1298
213 2PD4 NAD 43.5115
214 2PD4 DCN 43.5115
215 4FC7 NAP 43.8931
216 4FC7 COA 43.8931
217 3H4V DVP 43.8931
218 3H4V NAP 43.8931
219 3OJF NDP 43.9689
220 3OJF IMJ 43.9689
221 2WYV NAD 44.0613
222 5O42 BGC 44.1606
223 5O42 NAD 44.1606
224 5O42 9JW 44.1606
225 1W8D NAP 44.2748
226 2RH4 EMO 44.2748
227 1W73 NAP 44.2748
228 5L53 NAP 44.6565
229 5I7S E9P 44.6565
230 5I7S NAD 44.6565
231 1W6U NAP 45.0382
232 3BMN NAP 45.4198
233 4CM9 NAP 45.4198
234 2VZ0 D64 45.4198
235 2VZ0 NAP 45.4198
236 4CLO NAP 45.4198
237 3JQ7 NAP 45.4198
238 4CLR NAP 45.4198
239 3JQ9 NAP 45.4198
240 3JQ8 NAP 45.4198
241 4CME NAP 45.4198
242 4CMI NAP 45.4198
243 2WD7 NAP 45.4198
244 3JQB NAP 45.4198
245 4CM4 NAP 45.4198
246 3JQA NAP 45.4198
247 1ZEM NAD 45.4198
248 4CM8 NAP 45.4198
249 3JQF NAP 45.4198
250 3BMO NAP 45.4198
251 3JQG NAP 45.4198
252 3BMQ NAP 45.4198
253 1UZN NAP 45.749
254 3OIG NAD 45.8015
255 1GZ6 NAI 45.8015
256 2Q2V NAD 46.2745
257 3VZS CAA 46.3035
258 3VZS NAP 46.3035
259 1QG6 NAD 46.3602
260 1QG6 TCL 46.3602
261 5Z2L NDP 46.5306
262 2AE2 NAP 46.5385
263 2AE2 PTO 46.5385
264 5CG1 NAD BBN 46.5649
265 4ZA2 NAD 46.6403
266 1H5Q NAP 47.3282
267 3V1U NAD 47.3282
268 2CFC NAD 47.6
269 1ZBQ NAD 47.7099
270 3D3W NAP 47.9508
271 1XKQ NDP 48.4733
272 1XHL NDP 48.855
273 3O03 NAP 49.2366
274 1O5I NAD 49.3976
275 2WSB NAD 49.6063
276 3OID NDP 49.6124
277 1VL8 NAP 49.6183
278 3AFN NAP 50
279 1G0N NDP 50
280 1G0N PHH 50
Pocket No.: 2; Query (leader) PDB : 5EPO; Ligand: TUD; Similar sites found with APoc: 126
This union binding pocket(no: 2) in the query (biounit: 5epo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1TUK PGM None
2 5LLT DND 0.938967
3 1XK5 TPG 0.980392
4 5EEH P9P 1.52672
5 3T3Z 9PL 1.9084
6 1R6D DAU 2.29008
7 1V6A TRE 2.29008
8 3GGO ENO 2.29008
9 3GGO NAI 2.29008
10 5KBF CMP 2.29008
11 2ZCQ B65 2.67176
12 1VJE MSE 3.01205
13 2C29 DQH 3.05344
14 2C29 NAP 3.05344
15 1FDJ 13P 3.05344
16 5OKG BG6 3.05344
17 3WIR BGC 3.05344
18 5NNS AKR 3.11111
19 4ZUL UN1 3.43511
20 3BQF SSM 3.60825
21 1I2B USQ 3.71287
22 1I2B UPG 3.71287
23 1I2B NAD 3.71287
24 4DDY DN6 3.81679
25 3U6W KIV 3.81679
26 5W7R 9Z7 4.19847
27 2XMY CDK 4.19847
28 5K4W THR 4.19847
29 4BHL ARG 4.19847
30 2BO4 FLC 4.19847
31 2W3L DRO 4.86111
32 4WOE 3S5 5.34351
33 1ZZ7 S0H 5.55556
34 2X1L MET 5.72519
35 4DD8 BAT 5.76923
36 1KEW NAD 6.10687
37 1KEW TYD 6.10687
38 1N7G GDR 6.48855
39 1Z45 UPG 6.48855
40 2GN4 UD1 6.87023
41 5BRP PNG 6.87023
42 5DGR GCS 7.25191
43 5DF1 NAP 7.63359
44 5DF1 58X 7.63359
45 5XFV FMN 7.63359
46 1SB8 UD2 7.63359
47 1V35 NAI 8.39695
48 3HYW DCQ 8.39695
49 1OC2 TDX 8.77863
50 1OC2 NAD 8.77863
51 1MJT NAD 8.77863
52 4BG4 ARG 9.54198
53 5TUF TDC 9.54198
54 5XWV NDP 10.4839
55 5XWV 8H6 10.4839
56 3HCN CHD 10.687
57 5WS9 ATP 11.0687
58 4PIV 2W4 11.0687
59 5X9D 80F 11.8321
60 5VYH FOL 13.3588
61 3LU1 UD2 14.8855
62 1WMA AB3 15.6489
63 1WMA NDP 15.6489
64 1UDB UFG 15.6489
65 1UDB NAD 15.6489
66 5BJX NAD 16.7939
67 1EK6 NAI 17.1756
68 1EK6 UPG 17.1756
69 2DKN NAI 17.6471
70 5Y1G AKB 19.4656
71 4NDN PPK 23.6641
72 1NNU TCT 26.6667
73 1NNU NAD 26.6667
74 4OHU 2TK 28.626
75 4OHU NAD 28.626
76 3HB5 NAP 30.5344
77 3HB5 E2B 30.5344
78 1A27 EST 30.5344
79 3RJ5 NAD 31.8898
80 4IXW IXW 32.2835
81 1OAA OAA 33.5907
82 4J7U YTZ 34.7328
83 4J7U NAP 34.7328
84 1XSE NDP 37.0229
85 4K26 SFF 37.4046
86 3CH6 311 38.1679
87 3CH6 NAP 38.1679
88 2BD0 BIO 39.7541
89 1ZMT RNO 39.7638
90 1E3W NAD 40.2299
91 4D42 W0I 40.8397
92 4D42 NAP 40.8397
93 1U7T TDT 40.9962
94 1U7T NAD 40.9962
95 3ZV6 4HB 43.1298
96 3ZV6 NAD 43.1298
97 2PD4 DCN 43.5115
98 2PD4 NAD 43.5115
99 4FC7 COA 43.8931
100 4FC7 NAP 43.8931
101 3OJF IMJ 43.9689
102 3OJF NDP 43.9689
103 2WYV NAD 44.0613
104 5O42 NAD 44.1606
105 5O42 9JW 44.1606
106 5O42 BGC 44.1606
107 2RH4 EMO 44.2748
108 5I7S E9P 44.6565
109 5I7S NAD 44.6565
110 3JQ9 AX1 45.4198
111 2VZ0 NAP 45.4198
112 2VZ0 D64 45.4198
113 4CM9 YGL 45.4198
114 3VZS NAP 46.3035
115 3VZS CAA 46.3035
116 1QG6 NAD 46.3602
117 1QG6 TCL 46.3602
118 5Z2L NDP 46.5306
119 2AE2 PTO 46.5385
120 2AE2 NAP 46.5385
121 1H5Q NAP 47.3282
122 2CFC KPC 47.6
123 1XHL TNE 48.855
124 3O03 GCO 49.2366
125 2WSB NAD 49.6063
126 3OID TCL 49.6124
127 3AI3 SOL 50
128 1G0N PHH 50
129 1G0N NDP 50
Pocket No.: 3; Query (leader) PDB : 5EPO; Ligand: NAP; Similar sites found with APoc: 27
This union binding pocket(no: 3) in the query (biounit: 5epo.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4KFU ACP 1.41509
2 3G89 SAM 1.60643
3 6EGU 43Y 3.05344
4 1VBO MAN MAN MAN 3.3557
5 6A0S NDP 3.43511
6 6A0S HSE 3.43511
7 2D2I NAP 3.43511
8 3B20 NAD 3.43511
9 1I7Q PYR 3.62694
10 4DYG NAG NAG NAG NAG 4.09836
11 2W68 SIA GAL BGC 4.10256
12 3K0T BGC 4.1958
13 5CWA 0GA 4.19847
14 1GR0 NAD 4.19847
15 2WTN FER 5.17928
16 4CS9 AMP 5.29101
17 2PZM UDP 6.48855
18 2PZM NAD 6.48855
19 3RFV NAI 6.87023
20 3JWH SAH 6.91244
21 5TSH ADP 7.25191
22 3BOF HCS 7.63359
23 4YH2 GSH 8.10811
24 1U1I NAD 9.16031
25 1D4D SIN 10.687
26 1NVT NAP 12.892
27 5H20 GLC 16.2162
Pocket No.: 4; Query (leader) PDB : 5EPO; Ligand: TUD; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 5epo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1KQ4 FAD 1.72414
2 2C49 ANP 1.9084
3 1TFZ 869 2.29008
4 3FU8 3DM 2.67176
5 3BY9 SIN 3.46154
6 3BRN SRO 4.4586
7 1XKD ICT 4.58015
8 1QMG DMV 4.58015
9 2O1C PPV 5.33333
10 5WX3 COA 5.34351
11 3SCH TB6 5.55556
12 3E8N ATP 7.25191
13 3E8N VRA 7.25191
14 6DNT EPZ 10.687
15 3HAV ATP 11.8321
16 5LWY OLB 20.5607
17 4RF7 ARG 20.6107
18 2CFC NAD 47.6
19 1XKQ NDP 48.4733
Pocket No.: 5; Query (leader) PDB : 5EPO; Ligand: TUD; Similar sites found with APoc: 14
This union binding pocket(no: 5) in the query (biounit: 5epo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5E9G GLV 1.9084
2 4PBG BGP 2.67176
3 4RQL SNE 3.43511
4 6C4A PYR 3.81679
5 1OH2 SUC 4.58015
6 1A0T SUC 4.58015
7 3V1S 0LH 5.34351
8 3C3N FMN 5.34351
9 1Q19 SSC 9.92366
10 2GMH UQ5 14.5038
11 5L4S 6KX 25.1908
12 5L4S NAP 25.1908
13 2FOI JPA 26.6667
14 2Q2V NAD 46.2745
15 3AFN NAP 50
Pocket No.: 6; Query (leader) PDB : 5EPO; Ligand: NAP; Similar sites found with APoc: 102
This union binding pocket(no: 6) in the query (biounit: 5epo.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6AA8 NAD 0.763359
2 4CJN QNZ 1.14504
3 2FJK 13P 1.52672
4 2AK3 AMP 1.76991
5 1KJ8 GAR 1.9084
6 5UR0 NAD 1.9084
7 3C1O NAP 1.9084
8 4LPS GDP 2.06612
9 3QV1 NAD 2.29008
10 3CMC NAD 2.29008
11 1J0X NAD 2.29008
12 4B4U NAP 2.29008
13 3GGO NAI 2.29008
14 3GGO ENO 2.29008
15 4GKV NAD 2.38095
16 1NYT NAP 2.67176
17 1CDO NAD 2.67176
18 5LY1 PPI 2.67176
19 1LTH NAD 2.67176
20 2JHF NAD 2.67176
21 3A06 NDP 2.67176
22 2VN9 GVD 2.67176
23 4L77 CNL 2.67176
24 1U3U NAD 2.67176
25 1U3U BNF 2.67176
26 3GP3 SEP 2.72374
27 2HYV UAP SGN IDS SGN IDS 3.05344
28 5T9F TYR 3.05344
29 1FDJ 2FP 3.05344
30 5T9F NAP 3.05344
31 1D1T NAD 3.05344
32 3WLE NAD 3.43511
33 6F8A HIS 3.43511
34 4RKX 3S9 3.44828
35 1O4T OXL 3.7594
36 1RM4 NDP 3.81679
37 4IMG NGF 3.81679
38 4ISS TAR 3.81679
39 4JBI NDP 3.81679
40 5GVR LMR 3.84615
41 1E1M FAD 4.19847
42 1E1M NAP 4.19847
43 3UXM 0DN 4.2654
44 5N2I NAP 4.31034
45 4UTW RFW 4.36681
46 2F1K NAP 4.58015
47 1WP4 NDP 4.58015
48 5KVS NAP 4.58015
49 1M3U KPL 4.58015
50 1KCC GTR 4.58015
51 1TE2 PGA 4.86726
52 2D7I UDP 4.96183
53 5AOV NAP 4.96183
54 3C0G 3AM 5.12821
55 1WDK NAD 5.34351
56 3L9W AMP 5.34351
57 1UWK NAD 5.34351
58 1UWK URO 5.34351
59 5JE8 NAD 5.34351
60 1E6E FAD 5.46875
61 1BW9 NAD 5.72519
62 1LLU NAD 5.72519
63 2I3G NAP 6.10687
64 5AO7 AH0 NAG 6.48855
65 1P0F NAP 6.87023
66 4LZB URA 7.14286
67 3KB6 NAD 7.25191
68 2WEL K88 7.33333
69 3H0L ADP 7.44681
70 4R5M NAP 7.63359
71 1Q8A HCS 7.63359
72 2HK9 NAP 7.63359
73 5FI3 NAP 8.12325
74 3TWO NDP 8.39695
75 6BTP E8J 8.45771
76 5X2N ALA 8.77863
77 1M2W NAD 9.16031
78 5JIL 6KL 9.54198
79 3BAZ NAP 9.92366
80 5Z20 NAI 9.92366
81 1LUA NAP 9.92366
82 3B1F NAD 10.3053
83 5DOZ NDP 10.3053
84 2QES ADE 10.728
85 2GOO NDG 10.7843
86 5X9D 80F 11.8321
87 5ZZ6 ADP 12.0192
88 1XF1 CIT 13.3588
89 1K3A ACP 14.8855
90 3GFB NAD 16.0305
91 4B1L FRU 16.3636
92 4D3F NAP 16.4122
93 1PL6 NAD 16.7939
94 1YB5 NAP 17.5573
95 3I6I NDP 18.3206
96 4ZRB COA 19.708
97 4RF7 ARG 20.6107
98 2JJQ SAH 26.3359
99 4IXW IXW 32.2835
100 4CM9 YGL 45.4198
101 4CME KTZ 45.4198
102 1XHL TNE 48.855
103 3AI3 SOL 50
Pocket No.: 7; Query (leader) PDB : 5EPO; Ligand: NAP; Similar sites found with APoc: 26
This union binding pocket(no: 7) in the query (biounit: 5epo.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 1XK5 TPG 0.980392
3 4YEE 4CQ 2.22222
4 2TOH HBI 2.29008
5 5OJY CIT 2.75591
6 3E3U NVC 3.04569
7 3QOX SAH 3.05344
8 5N6N SUC 3.33333
9 1OFL ASG GCD 3.43511
10 3GCM 5GP 3.81679
11 1F74 NAY 3.81679
12 1R0X ATP 3.81679
13 2B5W NAP 4.19847
14 4XQC NAD 4.19847
15 4XQC 13D 4.19847
16 3A70 NPO 4.96183
17 3VWX GSH 6.30631
18 1VE3 SAM 6.60793
19 1B1C FMN 7.18232
20 3K05 SEP GLN GLU TYR NH2 7.5
21 3AB4 THR 8.39695
22 2QPU QPS 8.77863
23 1Z0N BCD 10.4167
24 4YGM URA 11.5385
25 5BSZ THM 13.6
26 4ZNO SUC 14.5038
Pocket No.: 8; Query (leader) PDB : 5EPO; Ligand: TUD; Similar sites found with APoc: 6
This union binding pocket(no: 8) in the query (biounit: 5epo.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3BPX SAL None
2 3AWJ COA 1.52672
3 4IPN 1FT 3.81679
4 2D3M COA 3.81679
5 2H29 DND 4.2328
6 6HOY TSN 4.96183
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