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Receptor
PDB id Resolution Class Description Source Keywords
3ICC 1.87 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PUTATIVE 3-OXOACYL-(ACYL CARRIER PROT REDUCTASE FROM BACILLUS ANTHRACIS AT 1.87 A RESOLUTION BACILLUS ANTHRACIS STR. -prime AMES ANCESTORORGANISM_COMMON: ANTHRAX BACTERIUM STRUCTURAL GENOMICS PUTATIVE 3-OXOACYL-(ACYL CARRIER PROTEIREDUCTASE OXIDOREDUCTASE CENTER FOR STRUCTURAL GENOMICS OINFECTIOUS DISEASES CSGID
Ref.: STRUCTURE OF A SHORT-CHAIN DEHYDROGENASE/REDUCTASE BACILLUS ANTHRACIS. ACTA CRYSTALLOGR.,SECT.F V. 68 632 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:292;
A:293;
B:291;
B:294;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MES B:401;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
NAP A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
SO4 A:402;
A:404;
B:403;
Invalid;
Invalid;
Invalid;
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
3ICC 1.87 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PUTATIVE 3-OXOACYL-(ACYL CARRIER PROT REDUCTASE FROM BACILLUS ANTHRACIS AT 1.87 A RESOLUTION BACILLUS ANTHRACIS STR. -prime AMES ANCESTORORGANISM_COMMON: ANTHRAX BACTERIUM STRUCTURAL GENOMICS PUTATIVE 3-OXOACYL-(ACYL CARRIER PROTEIREDUCTASE OXIDOREDUCTASE CENTER FOR STRUCTURAL GENOMICS OINFECTIOUS DISEASES CSGID
Ref.: STRUCTURE OF A SHORT-CHAIN DEHYDROGENASE/REDUCTASE BACILLUS ANTHRACIS. ACTA CRYSTALLOGR.,SECT.F V. 68 632 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3ICC - 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 1205 families.
1 3ICC - 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 : 3ICC; Ligand: NAP; Similar sites found with APoc: 614
This union binding pocket(no: 1) in the query (biounit: 3icc.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3HAD NAD None
2 1Q0H FOM 0.784314
3 1Q0H NDP 0.784314
4 5EES NAP 0.809717
5 5X20 NAD 1.17647
6 1J5P NAD 1.18577
7 4Z4P SAH 1.20482
8 3VPH NAD 1.56863
9 4JK3 NAD 1.56863
10 3KB6 NAD 1.56863
11 3VPH OXM 1.56863
12 5XVH NAP 1.56863
13 1SB8 UD2 1.96078
14 3LU1 NAD 1.96078
15 1SB8 NAD 1.96078
16 1EK6 NAI 1.96078
17 1EK6 UPG 1.96078
18 2YY7 NAD 1.96078
19 6A0S HSE 1.96078
20 6A0S NDP 1.96078
21 1BW9 NAD 1.96078
22 4R5M NAP 1.96078
23 1C1X NAD 1.96078
24 5Z20 NAI 1.96078
25 1BXG NAD 1.96078
26 3C1O NAP 1.96078
27 4R5M 4NO 1.96078
28 6C4T NA7 1.96078
29 2VE3 REA 1.96078
30 3MCT SAH 1.96078
31 3KL3 GCU 1.96078
32 1GZ4 ATP 1.99637
33 5Y8L HUI 2.0339
34 5Y8L NAD 2.0339
35 2VT3 ATP 2.32558
36 4ZRN NAD 2.35294
37 3KO8 NAD 2.35294
38 4ZRN UPG 2.35294
39 5Y1G AKB 2.35294
40 5Y1G NAD 2.35294
41 5MLR GRQ 2.35294
42 5MLR NAP 2.35294
43 1KEW NAD 2.35294
44 1OC2 NAD 2.35294
45 1OC2 TDX 2.35294
46 1BXK NAD 2.35294
47 1KEW TYD 2.35294
48 1PL6 NAD 2.35294
49 1TZD ADP 2.35294
50 4OOE FOM 2.35294
51 4OOE NDP 2.35294
52 4D3F NAP 2.35294
53 4DDY DN6 2.35294
54 5O9F NAD 2.35294
55 5O9F 9ON 2.35294
56 1O0S NAI 2.35294
57 1P31 EPU 2.35294
58 5T9E NAP 2.35294
59 5T9F NAP 2.35294
60 5X9D 80F 2.35294
61 1PZG A3D 2.35294
62 1MV8 NAD 2.35294
63 1MUU NAD 2.35294
64 2NAD NAD 2.35294
65 4NEC SAH 2.35294
66 1VKO NAD 2.35294
67 2VN9 GVD 2.35294
68 3CQ5 PMP 2.35294
69 3E1T FAD 2.35294
70 3TWO NDP 2.35294
71 4FXQ G9L 2.35294
72 3H9E NAD 2.35294
73 1CF2 NAP 2.35294
74 5T9F TYR 2.35294
75 5M67 ADE 2.35294
76 5M67 NAD 2.35294
77 1W2D ADP 2.35294
78 5M67 3D1 2.35294
79 4RSL FAD 2.35294
80 2IF8 ADP 2.47934
81 2HNK SAH 2.51046
82 2DC1 NAD 2.54237
83 1TL2 NDG 2.54237
84 2RI1 GLP 2.55319
85 1VM6 NAD 2.63158
86 5Z75 NAD 2.7451
87 4PIV NDP 2.7451
88 5L4L NAP 2.7451
89 5L4L 7OX 2.7451
90 4E13 NAD 2.7451
91 1HYE NAP 2.7451
92 1UDB UFG 2.7451
93 1UDB NAD 2.7451
94 3GFB NAD 2.7451
95 3A06 NDP 2.7451
96 1SOW NAD 2.7451
97 2I3G NAP 2.7451
98 3B20 NAD 2.7451
99 5U5N NAD 2.7451
100 3A06 FOM 2.7451
101 1KYZ SAH 2.7451
102 5Z21 NAI 2.7451
103 1DJN ADP 2.7451
104 5ZIC BMA Z4Y NAG 2.7451
105 3B1J NAD 2.7451
106 1U1I NAD 2.7451
107 3NJ4 AFX 2.7451
108 3NJ4 NAD 2.7451
109 1FP2 SAH 2.7451
110 4L8V NAP 2.7451
111 1FP1 SAH 2.7451
112 2WA2 SAM 2.7451
113 1YQZ FAD 2.7451
114 1YKJ PHB 2.7451
115 1YKJ FAD 2.7451
116 2R42 FPS 2.7451
117 3LST SAH 2.7451
118 5KOK SAH 2.7451
119 3SSO SAH 2.7451
120 4II2 ATP 2.7451
121 1V59 NAD 2.7451
122 6DNT NAD 3.13725
123 4G5H NAP 3.13725
124 4G5H UD7 3.13725
125 2GZ3 NAP 3.13725
126 4D79 ATP 3.13725
127 1E5Q NDP 3.13725
128 1TI7 NAP 3.13725
129 4RDH AMP 3.13725
130 2WPB ZZI 3.13725
131 2VUT NAD 3.13725
132 2IZ1 ATR 3.13725
133 2V7B BEZ 3.13725
134 2PV7 NAD 3.13725
135 5MPT SAH 3.13725
136 3B1F NAD 3.13725
137 2XYQ SAH 3.13725
138 2GSD NAD 3.13725
139 1ZGS XMM 3.13725
140 4RDI ATP 3.13725
141 4YCA NDP 3.13725
142 2GDJ ANP 3.13725
143 1PS9 NAP 3.13725
144 1KOL NAD 3.13725
145 1F8G NAD 3.13725
146 6EK3 OUL 3.16742
147 5XWV NDP 3.22581
148 5XWV 8H6 3.22581
149 1C3V NDP 3.26531
150 5OOH 9ZZ 3.39806
151 5OOH NAP 3.39806
152 1JJV ATP 3.39806
153 4EUE NAI 3.52941
154 1R6D NAD 3.52941
155 2X6T NAP 3.52941
156 1R6D DAU 3.52941
157 1EQ2 NAP 3.52941
158 5JAQ NAI 3.52941
159 2HJR APR 3.52941
160 4XB2 NDP 3.52941
161 3WQQ NDP 3.52941
162 3WQQ IB3 3.52941
163 2D2I NAP 3.52941
164 3CIF NAD 3.52941
165 4XB2 HSE 3.52941
166 4KP7 NAP 3.52941
167 4KP7 1UQ 3.52941
168 1H2B NAJ 3.52941
169 5JY6 NAD 3.52941
170 4XQC 13D 3.52941
171 4XQC NAD 3.52941
172 2VHW NAI 3.52941
173 2HGS GSH 3.52941
174 1J0X NAD 3.52941
175 1FDJ 13P 3.52941
176 3CIF G3H 3.52941
177 1RJD SAM 3.52941
178 2V7O DRN 3.52941
179 1UP7 NAD 3.52941
180 6AA8 NAD 3.52941
181 2GLX NDP 3.52941
182 1U3U NAD 3.52941
183 1U3U BNF 3.52941
184 2B5W NAP 3.52941
185 1E3I CXF 3.52941
186 3UOY FAD 3.52941
187 3UOY NAP 3.52941
188 3FSY SCA 3.52941
189 2NXE SAM 3.54331
190 2YVJ NAI 3.66972
191 1E7S NAP 3.92157
192 1GY8 NAD 3.92157
193 2V6G NAP 3.92157
194 5OJL TXP 3.92157
195 4KOA NDP 3.92157
196 3O7W SAM 3.92157
197 1RM4 NDP 3.92157
198 3GGO NAI 3.92157
199 3GGO ENO 3.92157
200 3L4S NAD 3.92157
201 1N7G NDP 3.92157
202 3L4S 3PG 3.92157
203 1N7G GDR 3.92157
204 1LLU NAD 3.92157
205 2B4R NAD 3.92157
206 2G5C NAD 3.92157
207 1KJ8 GAR 3.92157
208 1NVM NAD 3.92157
209 2X1E X1E 3.92157
210 2B4R AES 3.92157
211 4X9M FAD 3.92157
212 1WDK NAD 3.92157
213 3OND NAD 3.92157
214 3OND ADN 3.92157
215 4JLS 3ZE 3.94737
216 1LSS NAD 4.28571
217 5MSO NAP 4.31373
218 3A4V PYR 4.31373
219 3A4V NAD 4.31373
220 3H8V ATP 4.31373
221 2F1K NAP 4.31373
222 5L95 AMP 4.31373
223 5YEC ATP 4.31373
224 1SC6 NAD 4.31373
225 5MDH NAD 4.31373
226 4MDH NAD 4.31373
227 1YB5 NAP 4.31373
228 1EZ4 NAD 4.31373
229 5TDF 7A3 4.31373
230 5A1S FLC 4.31373
231 2ZWA SAH 4.31373
232 2AQX ATP 4.31373
233 3MB5 SAM 4.31373
234 2FZW NAD 4.31373
235 1KEV NDP 4.31373
236 3AB4 THR 4.49438
237 2DTJ THR 4.49438
238 5ZEC NAP 4.70588
239 1ORR NAD 4.70588
240 2Q1W NAD 4.70588
241 5NUF NAD 4.70588
242 4OM8 NAD 4.70588
243 2Q1S NAI 4.70588
244 5NUE NAD 4.70588
245 4PLG OXM 4.70588
246 4PLG NAI 4.70588
247 5ZI2 NAD 4.70588
248 1PJS NAD 4.70588
249 2WEL K88 4.70588
250 5ZI2 ADP 4.70588
251 2PZM NAD 4.70588
252 2PZM UDP 4.70588
253 4PLT NAI 4.70588
254 1HYH NAD 4.70588
255 4PLT OXM 4.70588
256 5E9W SAH 4.70588
257 2CVQ NDP 4.70588
258 5E8J SAH 4.70588
259 2DT5 NAD 4.73934
260 3F81 STT 4.91803
261 5F5N NAD 5.09804
262 4GLL NAD 5.09804
263 5DF1 58X 5.09804
264 5DF1 NAP 5.09804
265 1VL0 NAI 5.09804
266 2C29 NAP 5.09804
267 1B8U NAD 5.09804
268 5LD5 NAD 5.09804
269 2C29 DQH 5.09804
270 3V1Y NAD 5.09804
271 2OOR NAD 5.09804
272 3BAZ NAP 5.09804
273 5AYV NAP 5.09804
274 1UWK URO 5.09804
275 1UWK NAD 5.09804
276 3WLE NAD 5.09804
277 1J49 NAD 5.09804
278 1RM0 D6P 5.09804
279 2VYN NAD 5.09804
280 1OMO NAD 5.09804
281 1GAD NAD 5.09804
282 1RM0 NAI 5.09804
283 2GN4 NDP 5.23256
284 2GN4 UD1 5.23256
285 2W5P CL8 5.36913
286 5H81 NAP 5.39846
287 3RZ3 U94 5.46448
288 4PVD NDP 5.4902
289 3ICS ADP 5.4902
290 3I6I NDP 5.4902
291 3ICT ADP 5.4902
292 2DFV NAD 5.4902
293 1OFL ASG GCD 5.4902
294 2JL1 NAP 5.4902
295 1WP4 NDP 5.4902
296 1KYQ NAD 5.4902
297 4Z0H NAD 5.4902
298 2CVZ NDP 5.4902
299 3T31 FAD 5.4902
300 3T31 DCQ 5.4902
301 5UR0 NAD 5.4902
302 4CJX NAP 5.4902
303 2ZJ1 ARJ 5.4902
304 2ZJ1 NAD 5.4902
305 2BMB PMM 5.4902
306 6FDF SAH 5.4902
307 2HMT NAI 5.55556
308 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 5.65217
309 3KIF GDL 5.66038
310 1CER NAD 5.74018
311 5ZZ6 ADP 5.76923
312 5ZZ6 NAD 5.76923
313 6BWL NAD 5.88235
314 1Z45 NAD 5.88235
315 3RFV NAI 5.88235
316 1WVG APR 5.88235
317 3RFV 15L 5.88235
318 5OCQ CIT 5.88235
319 2GAG FOA 5.88235
320 1YS4 NAP 5.88235
321 4E5N NAD 5.88235
322 1DSS NAD 5.88235
323 3CMC NAD 5.88235
324 5KKA 6V0 5.88235
325 1X87 NAD 5.88235
326 1USI PHE 5.88235
327 5YSN 5AD 5.88235
328 5AHO TLA 5.88235
329 2DBZ NAP 5.98802
330 4URG C2E 5.98802
331 1RKX NAD 6.27451
332 1Y1P NMN AMP PO4 6.27451
333 1UXG FUM 6.27451
334 1UXG NAD 6.27451
335 5WJ6 B4A 6.27451
336 2IXB A2G 6.27451
337 2IXB NAD 6.27451
338 2NU8 COA 6.27451
339 4UP3 NDP 6.27451
340 3LZW NAP 6.27451
341 3LZW FAD 6.27451
342 1V35 NAI 6.66667
343 6EL3 NAP 6.66667
344 1LTH NAD 6.66667
345 2A92 NAI 6.66667
346 5OCM NAP 6.66667
347 5ERG SAM 6.66667
348 1NYT NAP 6.66667
349 3C0G 3AM 6.66667
350 4JWX 1N4 6.66667
351 5WP4 SAH 6.66667
352 4FZV SAM 6.69456
353 5TWJ SAM 6.79012
354 5O96 SAM 6.93878
355 5IN4 6CK 7.05882
356 5IN4 GDP 7.05882
357 5IN4 NAP 7.05882
358 3WMX NAD 7.05882
359 1T26 NAI 7.05882
360 1T26 GBD 7.05882
361 2GCG NDP 7.05882
362 5WP5 SAH 7.05882
363 2R4J FAD 7.05882
364 2R4J 13P 7.05882
365 2FWP ICR 7.10383
366 2FWP CIT 7.10383
367 3G89 SAM 7.22892
368 3QV1 NAD 7.31707
369 4TQG NDP 7.45098
370 2C5A GDC 7.45098
371 2C5A NAD 7.45098
372 2J5V RGP 7.45098
373 4BVA NDP 7.45098
374 1GR0 NAD 7.45098
375 1LUA NAP 7.45098
376 4GKV NAD 7.7381
377 1EJ0 SAM 7.77778
378 1R37 NAD 7.78098
379 1LDN NAD 7.84314
380 5A1T NAI 7.84314
381 4XZ3 COA 7.84314
382 5A1T OXM 7.84314
383 4W6Z 8ID 7.84314
384 5N2I NAP 8.18966
385 3ABI NAD 8.23529
386 5EIN NAP 8.23529
387 1EBF NAD 8.23529
388 1RL4 BL5 8.51064
389 2FR1 NDP 8.62745
390 2HK9 ATR 8.62745
391 5U5G NAP 8.62745
392 2HK9 NAP 8.62745
393 2BKA NDP 8.67769
394 5CAE COA 8.94569
395 6BII NAP 9.01961
396 1GV0 NAD 9.01961
397 5AOV NAP 9.01961
398 3A4T SFG 9.01961
399 4RQU NAD 9.01961
400 2OUA AES 9.04255
401 3CBG SAH 9.05172
402 3ORF NAD 9.16335
403 5K4W THR 9.41177
404 5K4W NAI 9.41177
405 1HDR NAD 9.41177
406 1GUZ NAD 9.41177
407 1ZQ9 SAM 9.41177
408 1ZGA SAH 9.41177
409 6D6Y SAH 9.41177
410 1HDG NAD 9.41177
411 1C9K 5GP 9.44444
412 1RJW ETF 9.80392
413 4RF7 ARG 9.80392
414 5MZI FAD 9.80392
415 1LVL NAD 9.80392
416 5MZI FYK 9.80392
417 2PK3 A2R 10.1961
418 5UAV NDP 10.1961
419 2O4C NAD 10.1961
420 5UAV TFB 10.1961
421 2WPF FAD 10.1961
422 2WPF WPF 10.1961
423 3VPD CIT 10.5882
424 1O6Z NAD 10.9804
425 4DPL NAP 10.9804
426 1LDM NAD 10.9804
427 1H9A NAP 10.9804
428 5JE8 NAD 10.9804
429 6CEP OXM 10.9804
430 6CEP NAD 10.9804
431 1O94 ADP 10.9804
432 3FIU POP 11.245
433 1V6A TRE 11.3725
434 5XNC MTA 11.3725
435 1RPN NDP 11.7647
436 5YB7 FAD 12.1569
437 5YB7 ORN 12.1569
438 9LDT NAD 12.549
439 4ZVV NAD 12.549
440 4ZVV GN0 12.549
441 9LDB NAD 12.549
442 1SAY PYR 13.3333
443 6C4N NAP 13.3333
444 5ODQ 9SB 13.7124
445 2CDU ADP 13.7255
446 1CDO NAD 13.7255
447 2JHF NAD 13.7255
448 2IV3 UDP 13.7255
449 1A0J BEN 13.9013
450 1A5Z NAD 14.1176
451 5TC4 NAD 14.1176
452 5N6C NAD 14.5098
453 4Q9N NAI 15.2941
454 4ZGS NAD 16.4706
455 1D1T NAD 16.8627
456 1GQ2 NAP 17.2549
457 1DRV A3D 17.9487
458 1FK8 NAD 18.0392
459 3RJ5 NAD 18.1102
460 6D5H FV7 18.5629
461 6D55 FWA 18.5629
462 4J1Q NDP 18.8235
463 5L4S 6KX 19.2157
464 5L4S NAP 19.2157
465 1OAA OAA 19.2157
466 1YKF NAP 19.2157
467 2PD4 NAD 23.5294
468 2PD4 DCN 23.5294
469 1N5D NDP 24.3137
470 1HKU NAD 24.7059
471 1NNU NAD 28.3333
472 1NNU TCT 28.3333
473 1D7O TCL 28.6275
474 1D7O NAD 28.6275
475 1GZ6 NAI 29.0196
476 4OHU NAD 29.0196
477 4OHU 2TK 29.0196
478 1ZBQ NAD 29.4118
479 4ZU3 4SD 29.5154
480 4Y9D NAI 31.3725
481 5GT9 NAP 32.9412
482 4R1S NAP 32.9412
483 2BD0 NAP 33.1967
484 1XSE NDP 33.3333
485 5WQP NAP 33.3333
486 5WQP NCA 33.3333
487 2GDZ NAD 34.5098
488 4K26 SFF 34.902
489 4K26 NDP 34.902
490 1A27 NAP 35.6863
491 3HB5 NAP 35.6863
492 1W8D NAP 36.4238
493 1W73 NAP 36.4238
494 4YAC NAI 36.4706
495 4YAG NAI 36.8627
496 3TN7 NJP 36.965
497 1Z6Z NAP 37.2549
498 4J7U YTZ 37.2549
499 4J7U NAP 37.2549
500 3CH6 NAP 37.2549
501 3CH6 311 37.2549
502 1W6U NAP 37.4172
503 1UAY ADN 37.6033
504 1SNY NAP 38.0392
505 5O98 NAP 40
506 4FC7 COA 41.1765
507 4FC7 NAP 41.1765
508 2DKN NAI 41.5686
509 3O26 NDP 41.5686
510 4D42 NAP 41.5686
511 4D42 W0I 41.5686
512 3OJF IMJ 41.9608
513 3OJF NDP 41.9608
514 5L53 NAP 41.9608
515 3GEG NAD 42.1053
516 1U7T TDT 42.3529
517 1U7T NAD 42.3529
518 1HDC CBO 42.5197
519 3SJU NDP 43.1373
520 2WYV NAD 43.1373
521 5O42 BGC 43.4307
522 5O42 9JW 43.4307
523 5O42 NAD 43.4307
524 1E3W NAD 43.9216
525 1XG5 NAP 43.9216
526 1E6W NAD 43.9216
527 2WD7 NAP 43.9216
528 1QG6 NAD 43.9216
529 1QG6 TCL 43.9216
530 5CG1 NAD BBN 43.9216
531 1WMA AB3 43.9216
532 1WMA NDP 43.9216
533 4ITU NAI 44.2379
534 4ITU 1HS 44.2379
535 5K6A NAP 44.3137
536 5JDC NAP 44.3137
537 5JCJ NAP 44.3137
538 5JDI NAP 44.3137
539 4CM8 NAP 44.3137
540 4CM9 NAP 44.3137
541 3BMN NAP 44.3137
542 4CLR NAP 44.3137
543 4CMI NAP 44.3137
544 3JQ9 NAP 44.3137
545 3JQA NAP 44.3137
546 3JQ7 NAP 44.3137
547 3JQG NAP 44.3137
548 3JQF NAP 44.3137
549 3BMO NAP 44.3137
550 4CM4 NAP 44.3137
551 4CLO NAP 44.3137
552 3BMQ NAP 44.3137
553 4CME NAP 44.3137
554 3JQB NAP 44.3137
555 3JQ8 NAP 44.3137
556 5JDI 6JO 44.3137
557 4CM9 YGL 44.3137
558 5JCJ 6JM 44.3137
559 4CME KTZ 44.3137
560 1PR9 NAP 44.6721
561 3D3W NAP 44.6721
562 1NFQ NAI 44.7059
563 6F9Q NAD 44.7059
564 1MXH DHF 44.7059
565 1MXH NAP 44.7059
566 3OIG NAD 44.7059
567 2JAH NDP 44.9393
568 4O0L NDP 45.098
569 3ZV6 NAD 45.098
570 3ZV6 4HB 45.098
571 1YXM ADE 45.098
572 2JAP NDP 45.3441
573 4NBW NAD 45.8824
574 5GWT NAD 45.8824
575 5GWT SIN 45.8824
576 2BGM NAJ 45.8824
577 3VZS NAP 45.8824
578 3H4V DVP 45.8824
579 3H4V NAP 45.8824
580 5G4L NDP 45.8824
581 3VZS CAA 45.8824
582 4JP3 CIT 46.0251
583 3RKR NAP 46.2745
584 5OVK NDP 46.2745
585 5OVL NAP 46.2745
586 1BDB NAD 46.2745
587 4O1M NAD 46.2745
588 5I7S NAD 46.6667
589 5I7S E9P 46.6667
590 1O5I NAD 46.988
591 4RF2 NAP 47.0588
592 1IY8 NAD 47.0588
593 2WSB NAD 47.6378
594 5FEU NAP 47.8431
595 3U4C NDP 47.8431
596 5FFF NAP 47.8431
597 5FFF 5XC 47.8431
598 1ZK4 NAP 48.2072
599 1ZK4 AC0 48.2072
600 1X1T NAD 48.2353
601 3OID NDP 48.6275
602 2B4Q NAP 48.6275
603 3OID TCL 48.6275
604 1EDO NAP 48.7705
605 2EWM NAD 48.996
606 5EJ2 NAD 49.0196
607 5THQ NDP 49.4118
608 4CQM NAP 49.4118
609 3AY6 NAI 49.4118
610 3AY6 BGC 49.4118
611 3O03 NAP 49.4118
612 2ZAT NAP 49.4118
613 3V1U NAD 49.4118
614 1AE1 NAP 49.8039
615 4FN4 NAD 50
616 4URF NAD 50
Pocket No.: 2; Query (leader) PDB : 3ICC; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3icc.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ICC; Ligand: NAP; Similar sites found with APoc: 47
This union binding pocket(no: 3) in the query (biounit: 3icc.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4HBM 0Y7 None
2 3E3U NVC 1.01523
3 1OIK AKG 1.17647
4 6GH9 MIX 1.56863
5 4C3Y FAD 1.96078
6 4C3Y ANB 1.96078
7 1MUU SUC 2.35294
8 2CUN 3PG 2.7451
9 2YYY NAP 2.7451
10 1SKQ GDP 3.13725
11 1GPE FAD 3.13725
12 5A7Y SAH 3.52941
13 1K3T BRZ 3.52941
14 2JKY 5GP 3.75587
15 5BRT CH9 3.92157
16 5BRT FAD 3.92157
17 1VLT ASP 4.10959
18 1DKU AP2 4.31373
19 3ACC 5GP 4.41989
20 3VSV XYP 4.70588
21 4DXD GDP 4.70588
22 6F5W KG1 5.09804
23 1B8U OAA 5.09804
24 5F8F SFG 5.09804
25 2C7G ODP 5.4902
26 2JBH 5GP 5.77778
27 1WPQ 13P 5.88235
28 6C5B SAH 5.88235
29 2I4O ATP 5.88235
30 1GVF PGH 5.88235
31 5HXI 5HN 6.27451
32 5HXI FAD 6.27451
33 4LJ9 ACP 6.66667
34 3QVP FAD 7.05882
35 4C2W ANP 7.45098
36 1OFS SUC 7.48663
37 3K0T BGC 7.69231
38 2VDV SAM 7.72358
39 4XYM COA 7.84314
40 4DCM SAM 8.62745
41 2D3Y DU 10.5023
42 2PT9 2MH 10.9034
43 2I7C AAT 12.3675
44 1P77 ATR 16.8627
45 6D59 FVJ 18.5629
46 6D56 FVM 18.5629
47 1HE1 AF3 18.75
Pocket No.: 4; Query (leader) PDB : 3ICC; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3icc.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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