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Receptor
PDB id Resolution Class Description Source Keywords
5T2U 2.2 Å EC: 1.-.-.- SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) FABG MYCOBACTERIUM FATTY ACIDS OXIDOREDUCTASE
Ref.: BINDING OF NADP(+) TRIGGERS AN OPEN-TO-CLOSED TRANS A MYCOBACTERIAL FABG BETA-KETOACYL-ACP REDUCTASE. BIOCHEM. J. V. 474 907 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP D:301;
A:301;
C:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5T2U 2.2 Å EC: 1.-.-.- SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN MYCOBACTERIUM SMEGMATIS (STRAIN ATCC 7MC(2)155) FABG MYCOBACTERIUM FATTY ACIDS OXIDOREDUCTASE
Ref.: BINDING OF NADP(+) TRIGGERS AN OPEN-TO-CLOSED TRANS A MYCOBACTERIAL FABG BETA-KETOACYL-ACP REDUCTASE. BIOCHEM. J. V. 474 907 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5T2U - 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 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
5 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
6 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
7 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
8 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
9 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
11 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 5YSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 5O43 Ki = 42 nM 9JQ C18 H14 F2 N2 O2 CN(c1ccc(c....
17 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
18 5O6X Ki = 6 nM 9MK C17 H12 F N O2 Cc1ccc2c(c....
19 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
20 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
22 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
26 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5Z2L Kd = 45 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
31 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
33 5OJG - BUO C4 H6 O2 CC(=O)C(=O....
34 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
37 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
39 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2DTX - BMA C6 H12 O6 C([C@@H]1[....
41 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
44 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
45 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 5T2U; Ligand: NAP; Similar sites found with APoc: 627
This union binding pocket(no: 1) in the query (biounit: 5t2u.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1RJD SAM None
2 5OCQ CIT None
3 5C2N NAG None
4 5FA8 SAM None
5 4YMH SAH None
6 1G6H ADP 0.806452
7 1I9G SAM 1.20968
8 3KU0 ADE 1.20968
9 1D1T NAD 1.20968
10 4L8V NAP 1.20968
11 1SC6 NAD 1.6129
12 4RQU NAD 1.6129
13 2C49 ADN 1.6129
14 4USF 6UI 1.6129
15 2DTJ THR 1.68539
16 3JWH SAH 1.84332
17 1JAY NAP 1.88679
18 4U7W NDP 2.01613
19 1E7S NAP 2.01613
20 3MB5 SAM 2.01613
21 1ZQ9 SAM 2.01613
22 2A14 SAH 2.01613
23 1LLU NAD 2.01613
24 2ZIF SAM 2.01613
25 5KVS NAP 2.01613
26 1U1I NAD 2.01613
27 2HMT NAI 2.08333
28 3LCC SAH 2.12766
29 1O8B ABF 2.28311
30 4QM7 GTP 2.33918
31 1RKX NAD 2.41935
32 1WVG APR 2.41935
33 2AWN ADP 2.41935
34 6F5W KG1 2.41935
35 5YLF BGC 2.41935
36 6AA8 NAD 2.41935
37 2JK0 ASP 2.41935
38 1T26 NAI 2.41935
39 1T26 GBD 2.41935
40 1JJ7 ADP 2.41935
41 5ZI2 NAD 2.41935
42 5ZI2 ADP 2.41935
43 2BKL ZAH 2.41935
44 4NEC SAH 2.41935
45 3CMC NAD 2.41935
46 1ZGS XMM 2.41935
47 2PV7 NAD 2.41935
48 5FTW SAH 2.41935
49 3FSY SCA 2.41935
50 3OA2 NAD 2.41935
51 3EVG SAH 2.41935
52 1FP1 SAH 2.41935
53 2JHF NAD 2.41935
54 3DLS ADP 2.41935
55 5W7K SAH 2.41935
56 5YJF 8WO 2.41935
57 2O2C G6Q 2.41935
58 3FIU POP 2.41935
59 5XLX SAH 2.41935
60 5A1S FLC 2.41935
61 1MJT NAD 2.41935
62 5DHU 5A8 2.41935
63 3EGI ADP 2.42718
64 6BT4 KPM 2.47525
65 3GDH SAH 2.48963
66 3MQ2 SAH 2.75229
67 1EQ2 NAP 2.82258
68 1P77 ATR 2.82258
69 1G55 SAH 2.82258
70 1X87 NAD 2.82258
71 1HDG NAD 2.82258
72 4C4A SAH 2.82258
73 3BQF SSM 2.82258
74 2A92 NAI 2.82258
75 6A0S NDP 2.82258
76 6A0S HSE 2.82258
77 3KB6 NAD 2.82258
78 4DE3 DN8 2.82258
79 4GKV NAD 2.82258
80 1V59 NAD 2.82258
81 5X20 NAD 2.82258
82 5THY SAH 2.82258
83 1H3F TYE 2.82258
84 1PZG A3D 2.82258
85 6BT6 3GK 2.82258
86 1Y42 TYR 2.82258
87 2OBF SAH 2.82258
88 2OBF F83 2.82258
89 5THZ SAH 2.82258
90 1J0X NAD 2.82258
91 5DN9 NAD 2.82258
92 1V47 ADX 2.82258
93 1P31 EPU 2.82258
94 4U00 ADP 2.86885
95 5HWK BEZ 2.91667
96 2DBZ NAP 2.99401
97 6F5Z SAH 3.0303
98 1R18 SAH 3.0837
99 1YS4 NAP 3.22581
100 3B1F NAD 3.22581
101 3G2O SAM 3.22581
102 4R5M NAP 3.22581
103 2Q1S NAI 3.22581
104 3C1O NAP 3.22581
105 1H9A NAP 3.22581
106 3QV1 NAD 3.22581
107 5LD5 NAD 3.22581
108 6BII NAP 3.22581
109 6D6Y SAH 3.22581
110 5KKA 6V0 3.22581
111 1CER NAD 3.22581
112 1NYT NAP 3.22581
113 4R5M 4NO 3.22581
114 1WP4 NDP 3.22581
115 1CF2 NAP 3.22581
116 3GRU AMP 3.22581
117 1FP2 SAH 3.22581
118 2B4R AES 3.22581
119 2UYQ SAM 3.22581
120 3G89 SAM 3.22581
121 2B4R NAD 3.22581
122 1ZH8 NAP 3.22581
123 3VPH NAD 3.22581
124 2NU8 COA 3.22581
125 1SAY PYR 3.22581
126 1R0X ATP 3.22581
127 4GA6 AMP 3.22581
128 3PT9 SAH 3.22581
129 2FZW NAD 3.22581
130 3VPH OXM 3.22581
131 1CDO NAD 3.22581
132 3WCS MAN NAG 3.22581
133 1HKU NAD 3.22581
134 4PTN GXV 3.22581
135 5EES NAP 3.23887
136 2VT3 ATP 3.25581
137 2CBZ ATP 3.37553
138 2PZE ATP 3.49345
139 5NUF NAD 3.61446
140 5NUE NAD 3.61446
141 1PJS NAD 3.62903
142 2DFV NAD 3.62903
143 1DSS NAD 3.62903
144 1P19 IMP 3.62903
145 1GAD NAD 3.62903
146 5AYV NAP 3.62903
147 2BMB PMM 3.62903
148 3OJO NAD 3.62903
149 1HYH NAD 3.62903
150 2CVZ NDP 3.62903
151 1F8G NAD 3.62903
152 2VYN NAD 3.62903
153 1VKO NAD 3.62903
154 1OXV ANP 3.62903
155 3T4L ZEA 3.62903
156 1L3I SAH 3.64583
157 3WV8 ATP 3.66972
158 3EW2 BTN 3.7037
159 5TWJ SAM 3.7037
160 2DT5 NAD 3.79147
161 4JLS 3ZE 3.94737
162 2XVM SAH 4.0201
163 4HXY NDP 4.03226
164 5BJX NAD 4.03226
165 5BJX UDP 4.03226
166 4EUE NAI 4.03226
167 2HK9 ATR 4.03226
168 3ABI NAD 4.03226
169 1SB8 NAD 4.03226
170 1SB8 UD2 4.03226
171 3V1Y NAD 4.03226
172 3O7W SAM 4.03226
173 3CIF NAD 4.03226
174 5A1T NAI 4.03226
175 1YQT ADP 4.03226
176 4KOA NDP 4.03226
177 5NM7 GLY 4.03226
178 5YV5 ADP 4.03226
179 3TLJ SAH 4.03226
180 5A1T OXM 4.03226
181 2HK9 NAP 4.03226
182 2CVQ NDP 4.03226
183 1Q8V MAN MAN MAN 4.03226
184 1EBF NAD 4.03226
185 1NPD NAD 4.03226
186 3CIF G3H 4.03226
187 1WOG 16D 4.03226
188 1OFL ASG GCD 4.03226
189 5X9D 80F 4.03226
190 5F7J ADE 4.03226
191 2PHR MAN MAN BMA MAN 4.03226
192 4XZ3 COA 4.03226
193 2PHF MAN MAN BMA MAN 4.03226
194 5AOV NAP 4.03226
195 5O96 SAM 4.08163
196 1LSS NAD 4.28571
197 3H9E NAD 4.33526
198 4PVD NDP 4.43548
199 5DF1 NAP 4.43548
200 5DF1 58X 4.43548
201 1SQF SAM 4.43548
202 1E5Q NDP 4.43548
203 4D3F NAP 4.43548
204 5T9E NAP 4.43548
205 1ZGA SAH 4.43548
206 4OBW SAM 4.43548
207 4MXP DB4 4.43548
208 3L4S NAD 4.43548
209 4UP4 GAL NAG 4.43548
210 1LVL NAD 4.43548
211 1P0F NAP 4.43548
212 2YX1 SFG 4.43548
213 5HTX ADP 4.43548
214 4JK3 NAD 4.43548
215 4RSL FAD 4.43548
216 3L4S 3PG 4.43548
217 1S20 TLA 4.43548
218 2WA2 SAM 4.43548
219 5T9F TYR 4.43548
220 5T9F NAP 4.43548
221 2VWT PYR 4.43548
222 3IIJ ADP 4.44444
223 3QOX SAH 4.46009
224 2VDV SAM 4.47154
225 2DC1 NAD 4.66102
226 5YEC ATP 4.70588
227 5ZEC NAP 4.83871
228 1GUZ NAD 4.83871
229 3BAZ NAP 4.83871
230 1O6Z NAD 4.83871
231 1UXG NAD 4.83871
232 1UXG FUM 4.83871
233 5H81 NAP 4.83871
234 4OOE FOM 4.83871
235 4OOE NDP 4.83871
236 1SOW NAD 4.83871
237 5ZI9 FLC 4.83871
238 1RRC ADP 4.83871
239 6CEP NAD 4.83871
240 6CEP OXM 4.83871
241 5G6U TRP 4.83871
242 5Z21 NAI 4.83871
243 3A06 NDP 4.83871
244 1GV0 NAD 4.83871
245 4YCA NDP 4.83871
246 3A06 FOM 4.83871
247 3JQQ A2P 4.83871
248 2EJU SAH 4.83871
249 2X6T NAP 5.04202
250 1TL2 NDG 5.08475
251 1U4J MAN 5.08475
252 5HRA DAS 5.10638
253 3KIH GDL 5.15464
254 3LU1 NAD 5.24194
255 3L9W AMP 5.24194
256 2F1K NAP 5.24194
257 2C5A GDC 5.24194
258 2C5A NAD 5.24194
259 5XNC MTA 5.24194
260 4DPL NAP 5.24194
261 3A4T SFG 5.24194
262 1G60 SAM 5.24194
263 1KYQ NAD 5.24194
264 3LST SAH 5.24194
265 5Z20 NAI 5.24194
266 1TB4 PEJ 5.24194
267 6ECW SAH 5.24194
268 1IXI 2HP 5.24194
269 3K56 IS3 5.24194
270 3BY9 SIN 5.24194
271 6ECU SAH 5.24194
272 5A0U CHT 5.24194
273 1HDR NAD 5.32787
274 5YRL GLC GLC 5.6338
275 5K4W NAI 5.64516
276 5K4W THR 5.64516
277 2I3G NAP 5.64516
278 3QDK QDK 5.64516
279 2D2F ADP 5.64516
280 4XQC 13D 5.64516
281 4XQC NAD 5.64516
282 5JE8 NAD 5.64516
283 5KOK SAH 5.64516
284 5CC2 CKA 5.64516
285 5YU3 NAD 5.64516
286 5YU3 PRO 5.64516
287 5TSH ADP 5.64516
288 3TKY SAH 5.64516
289 2GZ3 NAP 5.64516
290 5JIB OIA 5.64516
291 4JBI NDP 5.64516
292 3GWZ SAH 5.69106
293 1VM6 NAD 5.70175
294 6FDF SAH 5.98802
295 5KL0 G16 5.99572
296 3I6I NDP 6.04839
297 1FDJ 13P 6.04839
298 2PWY SAH 6.04839
299 1N7G NDP 6.04839
300 5F8F SFG 6.04839
301 1N7G GDR 6.04839
302 1FDJ 2FP 6.04839
303 5W7R SAH 6.04839
304 3T7S SAM 6.04839
305 1UP7 NAD 6.04839
306 3VPD CIT 6.04839
307 4KRG SAH 6.04839
308 1XVB BBU 6.04839
309 3GWN FAD 6.14035
310 4LHD GLY 6.45161
311 3GFB NAD 6.45161
312 3H5N ATP 6.45161
313 5WP4 SAH 6.45161
314 2YVJ NAI 6.45161
315 1QAN SAH 6.45161
316 3VSE SAH 6.45161
317 5UR0 NAD 6.45161
318 3SSO SAH 6.45161
319 3A25 SAM 6.45161
320 3GCZ SAM 6.73759
321 1RPN NDP 6.85484
322 1PL6 NAD 6.85484
323 5CAE COA 6.85484
324 2JJQ SAH 6.85484
325 1M2W NAD 6.85484
326 1NVM NAD 6.85484
327 1T9D P22 6.85484
328 2ZJ1 NAD 6.85484
329 2ZJ1 ARJ 6.85484
330 4BVA NDP 6.85484
331 4JNJ BTN 6.95652
332 2BKA NDP 7.02479
333 1V6A TRE 7.25806
334 4ZVV NAD 7.25806
335 5MPT SAH 7.25806
336 4ZVV GN0 7.25806
337 5E9W SAH 7.25806
338 4KIB SAH 7.25806
339 4LWP SAH 7.25806
340 5E8J SAH 7.25806
341 5O9F NAD 7.25806
342 5O9F 9ON 7.25806
343 1DJN ADP 7.25806
344 3NJ4 AFX 7.25806
345 3NJ4 NAD 7.25806
346 5GM1 SAH 7.25806
347 4XYB NDP 7.25806
348 1O94 ADP 7.25806
349 4POO SAM 7.5
350 3H8V ATP 7.66129
351 1HYE NAP 7.66129
352 5L95 AMP 7.66129
353 1WDK NAD 7.66129
354 1EZ4 NAD 7.66129
355 1J5P NAD 7.66129
356 4RDH AMP 7.66129
357 1H2B NAJ 7.66129
358 1MUU NAD 7.66129
359 4RDI ATP 7.66129
360 6CMJ F6J 7.66129
361 2IXB NAD 7.66129
362 2CDU ADP 7.66129
363 2FR1 NDP 7.81893
364 1I2B USQ 7.92079
365 1I2B NAD 7.92079
366 1I2B UPG 7.92079
367 5MSO NAP 8.06452
368 2YY7 NAD 8.06452
369 4D79 ATP 8.06452
370 2OOR NAD 8.06452
371 4IGQ OGA 8.06452
372 3TWO NDP 8.06452
373 1J49 NAD 8.06452
374 1U3U BNF 8.06452
375 1U3U NAD 8.06452
376 3UDZ ADP 8.06452
377 5IL1 SAM 8.33333
378 5ZW3 SAH 8.44444
379 3A27 SAM 8.45588
380 1GY8 NAD 8.46774
381 5XWV NDP 8.46774
382 5XWV 8H6 8.46774
383 5JAQ NAI 8.46774
384 1I36 NAP 8.46774
385 1KYZ SAH 8.46774
386 2WEL K88 8.66667
387 4GGZ BTN 8.69565
388 6EL3 NAP 8.87097
389 5MLR NAP 8.87097
390 5MLR GRQ 8.87097
391 3B20 NAD 8.87097
392 2D2I NAP 8.87097
393 5W7M SAH 8.87097
394 6GKV SAH 8.87097
395 3UDG TMP 8.87097
396 3B1J NAD 8.87097
397 1EJ0 SAM 8.88889
398 1A0J BEN 8.96861
399 2HYQ MAN MAN 9.01639
400 1RM4 NDP 9.27419
401 3BXO SAM 9.62343
402 5UAV TFB 9.67742
403 4M37 SAH 9.67742
404 5UAV NDP 9.67742
405 2WPB ZZI 9.67742
406 3H2B SAH 9.85222
407 3GU3 SAH 9.85915
408 2VUT NAD 10.0806
409 1TI7 NAP 10.0806
410 3RUV ANP 10.0806
411 3O9Z AKG 10.0806
412 3O9Z NAD 10.0806
413 6BWL NAD 10.4839
414 2B5W NAP 10.4839
415 1BW9 NAD 10.8871
416 5WP5 SAH 10.8871
417 1BXG NAD 10.8871
418 1C1X NAD 10.8871
419 5H6S HDH 10.8871
420 1F8F NAD 10.8871
421 2ZWA SAH 10.8871
422 1W8S FBP 10.8871
423 5OOH 9ZZ 11.165
424 5OOH NAP 11.165
425 3KO8 NAD 11.2903
426 1LDN NAD 11.2903
427 4ZRN NAD 11.6935
428 4ZRN UPG 11.6935
429 5MDH NAD 11.6935
430 5ZZ6 ADP 11.6935
431 5ZZ6 NAD 11.6935
432 4MDH NAD 11.6935
433 1NVT NAP 11.6935
434 1H5S TMP 11.6935
435 5ULP KB1 11.9403
436 2GCG NDP 12.0968
437 1MV8 NAD 12.0968
438 4PIV NDP 12.2727
439 1LUA NAP 12.5
440 4Z0H NAD 12.5
441 5N2I NAP 12.5
442 3FXU TSU 12.5
443 1OAA OAA 12.9032
444 5IN4 6CK 12.9032
445 5IN4 GDP 12.9032
446 5IN4 NAP 12.9032
447 1Q19 SSC 12.9032
448 3P2E SAH 12.9032
449 1RM0 D6P 12.9032
450 1RM0 NAI 12.9032
451 3GGO NAI 13.0573
452 3GGO ENO 13.0573
453 3C3Y SAH 13.0802
454 2C29 NAP 13.3065
455 2C29 DQH 13.3065
456 5JGL SAM 13.3065
457 2CUN 3PG 13.3065
458 2UZH IPE 13.3333
459 5YRF GLC GLC 13.3803
460 4B1M FRU FRU 13.5135
461 5N6C NAD 13.7097
462 2HJ9 AI2 14.0271
463 5BW4 SAM 14.1129
464 4QTU SAM 14.8148
465 4GLL NAD 14.9194
466 1LDM NAD 15.3226
467 4FZV SAM 15.3226
468 2Q46 NAP 15.7258
469 2Q1W NAD 15.7258
470 5ERG SAM 15.7258
471 1OMO NAD 15.7258
472 2G5C NAD 16.129
473 1UWK URO 16.5323
474 1UWK NAD 16.5323
475 4C2W ANP 17.3077
476 3X0D SAH 17.3387
477 4GQB 0XU 18.1818
478 1Y1P NMN AMP PO4 18.5484
479 1LTH NAD 18.5484
480 4M38 SAH 19.0476
481 3O26 NDP 19.3548
482 2GLX NDP 19.7581
483 5L4S NAP 20.1613
484 5L4S 6KX 20.1613
485 4J1Q NDP 20.1613
486 2DKN NAI 20.5645
487 9LDT NAD 22.1774
488 9LDB NAD 22.1774
489 4II2 ATP 22.8916
490 1ORR NAD 22.9839
491 1A5Z NAD 22.9839
492 2PZM NAD 22.9839
493 2PZM UDP 22.9839
494 1Z45 NAD 25
495 2EXX NAP 25.4032
496 4TQG NDP 26.2097
497 3OIG NAD 26.6129
498 3RFV NAI 26.6129
499 3RFV 15L 26.6129
500 1EK6 NAI 27.0161
501 1EK6 UPG 27.0161
502 1UDB NAD 27.0161
503 1UDB UFG 27.0161
504 2GN4 NDP 27.4194
505 1N5D NDP 27.4194
506 2GN4 UD1 27.4194
507 6DNT NAD 27.4194
508 3OJF NDP 28.629
509 3OJF IMJ 28.629
510 5Y1G NAD 29.0323
511 5Y1G AKB 29.0323
512 1V35 NAI 29.0323
513 3RJ5 NAD 29.4355
514 1OC2 TDX 29.4355
515 1OC2 NAD 29.4355
516 5EIN NAP 29.6296
517 3A4V PYR 29.8387
518 3A4V NAD 29.8387
519 1BXK NAD 31.4516
520 1NNU NAD 31.6667
521 1NNU TCT 31.6667
522 3ORF NAD 33.0677
523 4Q9N NAI 34.2742
524 1KEW NAD 34.2742
525 1KEW TYD 34.2742
526 3CH6 311 34.2742
527 3CH6 NAP 34.2742
528 4G5H UD7 34.6774
529 4G5H NAP 34.6774
530 3WXB NDP 35.8871
531 4J7U YTZ 35.8871
532 4J7U NAP 35.8871
533 1R6D NAD 35.8871
534 1R6D DAU 35.8871
535 2PD4 NAD 36.2903
536 2PD4 DCN 36.2903
537 1D7O TCL 36.2903
538 1D7O NAD 36.2903
539 4K26 SFF 37.0968
540 4K26 NDP 37.0968
541 1XSE NDP 37.5
542 1Z6Z NAP 37.5
543 1GZ6 NAI 38.3064
544 2GDZ NAD 38.7097
545 4D42 NAP 38.7097
546 4D42 W0I 38.7097
547 2BD0 NAP 40.1639
548 1W8D NAP 41.129
549 1W73 NAP 41.129
550 1WMA NDP 41.5323
551 1WMA AB3 41.5323
552 1ZBQ NAD 41.9355
553 3RKR NAP 43.5484
554 3HB5 NAP 43.5484
555 1W6U NAP 43.9516
556 3OID NDP 44.3548
557 5L53 NAP 44.3548
558 1A27 NAP 44.3548
559 4O1M NAD 44.3548
560 5O42 9JW 44.7581
561 5O42 BGC 44.7581
562 5O42 NAD 44.7581
563 4OHU NAD 45.1613
564 4OHU 2TK 45.1613
565 3VZS NAP 45.9677
566 3VZS CAA 45.9677
567 2WD7 NAP 46.371
568 2WD7 VGD 46.371
569 1O5I NAD 46.5863
570 5OJI NAP 46.7742
571 5OJI ISN 46.7742
572 4CM8 NAP 46.7742
573 4CM9 NAP 46.7742
574 3BMN NAP 46.7742
575 4CLR NAP 46.7742
576 4CMI NAP 46.7742
577 3JQ9 NAP 46.7742
578 4CM4 NAP 46.7742
579 3JQA NAP 46.7742
580 3BMO NAP 46.7742
581 3JQF NAP 46.7742
582 3JQG NAP 46.7742
583 4CLO NAP 46.7742
584 3BMQ NAP 46.7742
585 3JQ7 NAP 46.7742
586 4CME NAP 46.7742
587 3JQB NAP 46.7742
588 3JQ8 NAP 46.7742
589 4CM9 YGL 46.7742
590 4CME KTZ 46.7742
591 3JQ8 DX3 46.7742
592 3JQB DX6 46.7742
593 4CMI M4V 46.7742
594 3BMO AX4 46.7742
595 4CM8 IZ9 46.7742
596 3QWI NAP 47.1774
597 5OVK NDP 47.1774
598 5EJ2 NAD 47.1774
599 5OVL NAP 47.1774
600 1FK8 NAD 47.1774
601 3QWI CUE 47.1774
602 1G0N NDP 47.5806
603 1G0N PHH 47.5806
604 3V1U NAD 47.9839
605 2WYV NAD 47.9839
606 3H4V DVP 47.9839
607 3H4V NAP 47.9839
608 1GEG NAD 48.3871
609 2ZAT NAP 48.3871
610 3O03 NAP 48.3871
611 5I7S NAD 48.3871
612 5I7S E9P 48.3871
613 1U7T TDT 48.7903
614 1U7T NAD 48.7903
615 4FC7 NAP 48.7903
616 4FC7 COA 48.7903
617 1X1T NAD 49.1936
618 2B4Q NAP 49.1936
619 3ZV6 4HB 49.1936
620 3ZV6 NAD 49.1936
621 1QG6 NAD 49.1936
622 1QG6 TCL 49.1936
623 5CG1 NAD BBN 49.1936
624 1E3W NAD 49.5968
625 1E6W NAD 49.5968
626 1ZK4 NAP 49.5968
627 1ZK4 AC0 49.5968
628 1PR9 NAP 50
629 3D3W NAP 50
630 1HDC CBO 50
Pocket No.: 2; Query (leader) PDB : 5T2U; Ligand: NAP; Similar sites found with APoc: 67
This union binding pocket(no: 2) in the query (biounit: 5t2u.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5LUB 3Y7 1.20968
2 5Z49 RUB 1.25523
3 2QES ADE 1.6129
4 4WOH 4NP 1.80723
5 3KIF GDL 1.88679
6 5AHO TLA 2.01613
7 3NKS ACJ 2.01613
8 1LOB MMA 2.20994
9 1OGX EQU 2.29008
10 2B1N LYS ALA SER VAL GLY 2.43902
11 2JHP SAH 2.82258
12 2UVO NAG 2.92398
13 5FII PHE 2.94118
14 3KYQ DPV 3.01508
15 4XFR CIT 3.22581
16 3WIR BGC 3.22581
17 1JN2 SFP 3.37553
18 4FBL SPD 3.62903
19 1VAY AZA 3.62903
20 2NVK NAP 3.62903
21 5J6Y BGC 3.7234
22 5J6Y GLC 3.7234
23 3W6X HZP 3.93013
24 2HYV UAP SGN IDS SGN IDS 4.03226
25 2GMP NAG MAN 4.03226
26 1SES AMP 4.43548
27 2Q28 ADP 4.43548
28 2FJK 13P 4.43548
29 2DVZ GLU 4.43548
30 6EOM ALA LYS 4.83871
31 1Q0H NDP 4.83871
32 1Q0H FOM 4.83871
33 1RPJ ALL 4.83871
34 3ENV ABF 5.53191
35 5D63 FUC GLA GLA 5.64516
36 3PDB OAA 5.64516
37 3GXO SAH 5.69106
38 2IZ1 ATR 6.45161
39 4FXQ G9L 6.45161
40 2J5V RGP 6.45161
41 3MMH SME 6.58683
42 4SGA ACE PRO ALA PRO PHE 6.62983
43 5I8F ML1 6.66667
44 1MXG ACR 6.85484
45 3WLV AZA 7.25806
46 1M0S CIT 7.30594
47 3B9Q MLI 7.66129
48 4YUW 4JU 7.66129
49 3W6G FLC 7.87037
50 6MDE MEV 8.06452
51 1DNP MHF 8.46774
52 2XYQ SAH 8.46774
53 1O5E 132 8.46774
54 2GUC MAN 9.01639
55 2GUD MAN 9.01639
56 6ECT SAM 9.27419
57 2O07 MTA 10.0806
58 2X1L ADN 10.8871
59 4P86 5GP 11.4754
60 2PT9 2MH 12.7726
61 3AB4 THR 14.1129
62 2I7C AAT 14.4876
63 3WQQ NDP 14.5161
64 3WQQ IB3 14.5161
65 4CVN ADP 16.0584
66 1EX7 5GP 16.6667
67 5X2N ALA 17.7419
Pocket No.: 3; Query (leader) PDB : 5T2U; Ligand: NAP; Similar sites found with APoc: 61
This union binding pocket(no: 3) in the query (biounit: 5t2u.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4NZ6 DLY 2.41935
2 5KZD RCJ 2.41935
3 1F74 NAY 2.41935
4 3ULK NDP 2.41935
5 1B0U ATP 2.82258
6 4DDY DN6 2.82258
7 3VPB GLU 2.82258
8 3G2Y GF4 2.82258
9 4W6Z 8ID 2.88184
10 4Z7X 3CX 2.94118
11 3LTW HLZ 3.22581
12 3AI8 HNQ 3.22581
13 5JJR SAH 3.22581
14 3RDO BTN 3.26797
15 5W7B MYR 3.5461
16 4Y4V DAL 3.62903
17 2IYL GDP 3.62903
18 2Q0L NAP 3.62903
19 2PHX MAN MAN MAN MAN 4.03226
20 2GNM MAN 4.03226
21 2GN3 MAN 4.03226
22 1Q8S MAN MMA 4.03226
23 2GND MAN 4.03226
24 4RLQ 3SK 4.03226
25 2J4D MHF 4.03226
26 4TS1 TYR 4.03226
27 3D91 REM 4.03226
28 1UKG MMA 4.03226
29 1JX6 AI2 4.43548
30 4BHL ARG 4.43548
31 4EYG VNL 4.43548
32 5G6U YJM 4.83871
33 6APL C5P 4.83871
34 3VIU ADP 4.83871
35 1GQ2 NAP 4.83871
36 5E72 SAM 4.83871
37 5IDB MAN 4.92958
38 5IDB BMA 4.92958
39 2RI1 GLP 5.10638
40 1R37 NAD 5.24194
41 2GEK GDP 5.64516
42 2P41 SAH 5.90164
43 2W58 ADP 5.94059
44 1POC GEL 5.97015
45 1X9I G6Q 6.04839
46 2VHW NAI 6.45161
47 3HCH RSM 6.84932
48 1YQZ FAD 6.85484
49 4C1K PEP 6.87023
50 4DMG SAM 8.06452
51 3P4X ADP 8.06452
52 4CNK MEU 8.46774
53 6DWI HD4 8.64198
54 5A2Z GTP 8.87097
55 2NU5 NAG 9.01639
56 2NUO BGC 9.01639
57 5XSS XYP 9.27419
58 2GSD NAD 9.70149
59 6CS9 PIO 9.7561
60 6BWL UDP 10.4839
61 1DQN IMU 12.6087
Pocket No.: 4; Query (leader) PDB : 5T2U; Ligand: NAP; Similar sites found with APoc: 37
This union binding pocket(no: 4) in the query (biounit: 5t2u.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3BOS CDP 1.65289
2 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 1.67598
3 6DUB SAH 1.8018
4 5ME4 HP4 2.41935
5 2EB5 OXL 2.41935
6 4M3P HCS 2.41935
7 5YJF SAH 2.41935
8 5ZXD ATP 2.82258
9 4IDT T28 2.82258
10 4ISS TAR 3.22581
11 2PXX SAH 3.25581
12 5N5D SAM 3.53982
13 3BP1 GUN 3.62903
14 5MB4 NAG 4.03226
15 1OSS BEN 4.03587
16 3RGG AIR 4.40252
17 1TD2 PXL 4.43548
18 2HIM ASP 4.43548
19 2HIM ASN 4.43548
20 3FUU ADN 4.43548
21 5I3B HQE 4.43548
22 6CAM BGC 4.83871
23 4UX9 ANP 4.83871
24 1F3L SAH 5.64516
25 1A8U BEZ 5.64516
26 4B4U NAP 6.27063
27 5EHS 5OY 6.85484
28 5EHS 2JJ 6.85484
29 1WY7 SAH 7.24638
30 5OKU 0L1 7.25806
31 2ABJ CBC 7.25806
32 3ZIA ADP 8.46774
33 1Y8Q ATP 9.27419
34 4RF7 ARG 12.0968
35 5FA5 MTA 20
36 4Z28 BTN 21.6418
37 5H67 ATP 22.1106
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