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Receptor
PDB id Resolution Class Description Source Keywords
3SJ7 2.5 Å EC: 1.1.1.100 STRUCTURE OF BETA-KETOACETYL-COA REDUCTASE (FABG) FROM STAPH AUREUS COMPLEX WITH NADPH STAPHYLOCOCCUS AUREUS SUBSP. AUREUS KETOREDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FLUORESCENCE STUDIES REVEAL T OF HELICAL DIMERIC INTERFACE OF STAPHYLOCOCCAL FABG POSITIVE COOPERATIVITY FOR NADPH. PROTEINS V. 80 1250 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:245;
B:245;
Valid;
Valid;
none;
none;
Kd = 53.93 uM
745.421 C21 H30 N7 O17 P3 c1nc(...
PG4 A:246;
A:247;
B:246;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SJ7 2.5 Å EC: 1.1.1.100 STRUCTURE OF BETA-KETOACETYL-COA REDUCTASE (FABG) FROM STAPH AUREUS COMPLEX WITH NADPH STAPHYLOCOCCUS AUREUS SUBSP. AUREUS KETOREDUCTASE ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE AND FLUORESCENCE STUDIES REVEAL T OF HELICAL DIMERIC INTERFACE OF STAPHYLOCOCCAL FABG POSITIVE COOPERATIVITY FOR NADPH. PROTEINS V. 80 1250 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(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: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SJ7; Ligand: NDP; Similar sites found with APoc: 846
This union binding pocket(no: 1) in the query (biounit: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3GFB NAD None
2 5C2N NAG None
3 1C4Q GLA GAL BGC None
4 6CIB ADP None
5 1LNX URI None
6 2DFV NAD 0.793651
7 3A27 SAM 0.793651
8 3FPZ AHZ 0.793651
9 2XVM SAH 1.00503
10 2YY7 NAD 1.19048
11 3LCC SAH 1.2766
12 3GGO NAI 1.5873
13 3GGO ENO 1.5873
14 2PV7 NAD 1.5873
15 3G2O SAM 1.5873
16 2G5C NAD 1.5873
17 5W7R SAH 1.5873
18 2OBF SAH 1.5873
19 2OBF F83 1.5873
20 1QAN SAH 1.63934
21 5ZW3 SAH 1.77778
22 3JWH SAH 1.84332
23 5XHA FRU 1.98413
24 5X68 FAD 1.98413
25 6FDF SAH 1.98413
26 5EZ7 FAD 1.98413
27 4XYB NDP 1.98413
28 1G55 SAH 1.98413
29 1GVF PGH 1.98413
30 1BXK NAD 2.25352
31 1RKX NAD 2.38095
32 4D3F NAP 2.38095
33 3CGB FAD 2.38095
34 5L95 AMP 2.38095
35 1NYT NAP 2.38095
36 3H8V ATP 2.38095
37 1KYQ NAD 2.38095
38 4OBW SAM 2.38095
39 4RSL FAD 2.38095
40 4XQC NAD 2.38095
41 3OA2 NAD 2.38095
42 4XQC 13D 2.38095
43 2UYQ SAM 2.38095
44 5Z20 NAI 2.38095
45 5DOZ NDP 2.38095
46 1PZG A3D 2.38095
47 1U3U BNF 2.38095
48 1U3U NAD 2.38095
49 4DCM SAM 2.38095
50 2NAD NAD 2.38095
51 4YCA NDP 2.38095
52 5J5Z FAD 2.38095
53 2FZW NAD 2.38095
54 2O4C NAD 2.38095
55 1P0F NAP 2.38095
56 1I8T FAD 2.38095
57 4RPL FAD 2.38095
58 4RPL 3UC 2.38095
59 1PN0 FAD 2.38095
60 1PN0 IPH 2.38095
61 5W7K SAH 2.38095
62 1NE7 16G 2.38095
63 1YJQ NAP 2.38095
64 5NMX NAP 2.38095
65 3BXO SAM 2.51046
66 2GN4 NDP 2.77778
67 2GN4 UD1 2.77778
68 1LTH NAD 2.77778
69 1V6A TRE 2.77778
70 1ZGA SAH 2.77778
71 2Q1S NAI 2.77778
72 1EZ4 NAD 2.77778
73 3C1O NAP 2.77778
74 6AIN FAD 2.77778
75 2JHP SAH 2.77778
76 2QZZ EMF 2.77778
77 2QZZ NAP 2.77778
78 3HAD NAD 2.77778
79 4GKV NAD 2.77778
80 1YKJ PHB 2.77778
81 1YKJ FAD 2.77778
82 1DRV A3D 2.77778
83 3E1T FAD 2.77778
84 6GKV SAH 2.77778
85 2Q7V FAD 2.77778
86 2PT9 2MH 2.77778
87 3WGT QSC 2.77778
88 1E5Q NDP 2.77778
89 2VVM FAD 2.77778
90 1XDS SAM 2.77778
91 4MO2 FDA 2.77778
92 2EV9 NAP 2.77778
93 2EV9 SKM 2.77778
94 2I7C AAT 2.77778
95 2VVL FAD 2.77778
96 3WGT FAD 2.77778
97 4MO2 FAD 2.77778
98 1OMO NAD 2.77778
99 1QZZ SAM 2.77778
100 4YIW NCD 2.77778
101 5Z2F NAP 2.77778
102 1S7G APR 2.77778
103 2YYY NAP 2.77778
104 2ZFU SAH 2.7907
105 5HW4 SAM 2.82258
106 2VDV SAM 2.84553
107 3QJ4 FAD 2.92398
108 2CDC NAP 3.00546
109 2CDC XYP 3.00546
110 2CDC XYS 3.00546
111 5O9F NAD 3.125
112 5O9F 9ON 3.125
113 1P19 IMP 3.16742
114 4GLL NAD 3.1746
115 3LU1 NAD 3.1746
116 1UDB UFG 3.1746
117 1UDB NAD 3.1746
118 3WQQ NDP 3.1746
119 3WQQ IB3 3.1746
120 1O6Z NAD 3.1746
121 4KP7 NAP 3.1746
122 2I3G NAP 3.1746
123 1R6D NAD 3.1746
124 2CDU ADP 3.1746
125 4KP7 1UQ 3.1746
126 5JAQ NAI 3.1746
127 1R6D DAU 3.1746
128 5AYV NAP 3.1746
129 2Y6Q I7T 3.1746
130 6C4N NAP 3.1746
131 1ZQ9 SAM 3.1746
132 1GAD NAD 3.1746
133 5XVH NAP 3.1746
134 2B4R NAD 3.1746
135 5KOK SAH 3.1746
136 5T9F TYR 3.1746
137 5X20 NAD 3.1746
138 5T9F NAP 3.1746
139 2B4R AES 3.1746
140 2Y6Q FAD 3.1746
141 3A4T SFG 3.1746
142 2CDU FAD 3.1746
143 6AR9 3L4 3.1746
144 6C4M NAP 3.1746
145 3AB1 FAD 3.1746
146 5M67 3D1 3.1746
147 2NVK NAP 3.1746
148 5M67 ADE 3.1746
149 3OND ADN 3.1746
150 3OND NAD 3.1746
151 2RGJ FAD 3.1746
152 5M67 NAD 3.1746
153 5AYV KPL 3.1746
154 2OG7 AHB 3.1746
155 3IHG FAD 3.1746
156 2ZWA SAH 3.1746
157 4MP8 NAD 3.1746
158 4MP8 MLI 3.1746
159 5T9E NAP 3.1746
160 1TL2 NDG 3.38983
161 1LK7 DER 3.49345
162 5MDH NAD 3.57143
163 4XB2 NDP 3.57143
164 3O7W SAM 3.57143
165 4E13 NAD 3.57143
166 1B8U NAD 3.57143
167 4OOE FOM 3.57143
168 1FP2 SAH 3.57143
169 2HYV UAP SGN IDS SGN IDS 3.57143
170 4OOE NDP 3.57143
171 1Q0H NDP 3.57143
172 1Q0H FOM 3.57143
173 4MDH NAD 3.57143
174 1HYH NAD 3.57143
175 4XB2 HSE 3.57143
176 1KYZ SAH 3.57143
177 4M37 SAH 3.57143
178 5JE8 NAD 3.57143
179 1J0X NAD 3.57143
180 1I9G SAM 3.57143
181 4J4H NAI 3.57143
182 4J4H 1J1 3.57143
183 4M38 SAH 3.57143
184 6GAS FAD 3.57143
185 3L4S NAD 3.57143
186 2YX1 SFG 3.57143
187 3NTA FAD 3.57143
188 1B8U OAA 3.57143
189 3NTD FAD 3.57143
190 5Y8L NAD 3.57143
191 5Y8L HUI 3.57143
192 3L4S 3PG 3.57143
193 2QA1 FAD 3.57143
194 5UAO FAD 3.57143
195 2PUL ACP 3.57143
196 5TWB FAD 3.57143
197 1GET NAP 3.57143
198 4LWP SAH 3.57143
199 1V59 NAD 3.57143
200 3ZNN FAD 3.57143
201 3ZNN 4WL 3.57143
202 1GET FAD 3.57143
203 5ULP KB1 3.57143
204 3GWZ SAH 3.57143
205 4RLQ 3SK 3.57143
206 6ECU SAH 3.57143
207 1Q9I FAD 3.57143
208 1Q9I TEO 3.57143
209 3GXO SAH 3.57143
210 4FWE FAD 3.57143
211 1V59 FAD 3.57143
212 3DUW SAH 3.58744
213 2VT3 ATP 3.72093
214 3AYI FAD 3.7448
215 3AYI HCI 3.7448
216 2V7B BEZ 3.78072
217 2JL1 NAP 3.83275
218 2CUL FAD 3.87931
219 3EGI ADP 3.8835
220 1YS4 NAP 3.9548
221 1ORR NAD 3.96825
222 5Y1G NAD 3.96825
223 5Y1G AKB 3.96825
224 1SB8 NAD 3.96825
225 3I6I NDP 3.96825
226 1SB8 UD2 3.96825
227 5N6C NAD 3.96825
228 5AOV NAP 3.96825
229 5HSA FAS 3.96825
230 2DKH 3HB 3.96825
231 3GU3 SAH 3.96825
232 4X9M FAD 3.96825
233 4DYG MES 3.96825
234 4JNA FAD 3.96825
235 1J49 NAD 3.96825
236 4OPC PGT 3.96825
237 4OPC FDA 3.96825
238 4MIG G3F 3.96825
239 5D4V SAH 3.96825
240 3NYC FAD 3.96825
241 3NYC IAR 3.96825
242 1X7D ORN 3.96825
243 4UCI SAM 3.96825
244 2DKH FAD 3.96825
245 1X7D NAD 3.96825
246 5A04 NDP 3.96825
247 5X9D 80F 3.96825
248 5A04 BGC 3.96825
249 1KEV NDP 3.96825
250 3S5W FAD 3.96825
251 2YG3 FAD 3.96825
252 1L1E SAH 3.96825
253 1JQ3 AAT 3.96825
254 3WV8 ATP 4.12844
255 2QBU SAH 4.31034
256 6DNT NAD 4.36508
257 1KEW NAD 4.36508
258 1KEW TYD 4.36508
259 2X6T NAP 4.36508
260 1EQ2 NAP 4.36508
261 1GUZ NAD 4.36508
262 4D79 ATP 4.36508
263 1WP4 NDP 4.36508
264 5E9W SAH 4.36508
265 1F8G NAD 4.36508
266 4RDH AMP 4.36508
267 5E8J SAH 4.36508
268 4JK3 NAD 4.36508
269 4AP3 FAD 4.36508
270 4AP3 NAP 4.36508
271 3KB6 NAD 4.36508
272 2NU8 COA 4.36508
273 5OC1 FAD 4.36508
274 5HXI FAD 4.36508
275 5HXI 5HN 4.36508
276 1H9A NAP 4.36508
277 3MCT SAH 4.36508
278 1OFL ASG GCD 4.36508
279 1GQ2 NAP 4.36508
280 2CVZ NDP 4.36508
281 1J5P NAD 4.36508
282 4RDI ATP 4.36508
283 2HQM FAD 4.36508
284 3OJO NAD 4.36508
285 2RAB FAD 4.36508
286 6ECW SAH 4.36508
287 2RAB NAD 4.36508
288 3VSE SAH 4.36508
289 5A7C 5D4 4.42478
290 5ERG SAM 4.43864
291 1C3V NDP 4.4898
292 3H5N ATP 4.53258
293 3AXB FAD 4.6875
294 3AXB PRO 4.6875
295 4R1S NAP 4.7619
296 1LDN NAD 4.7619
297 5A1T NAI 4.7619
298 4DPL NAP 4.7619
299 5A1T OXM 4.7619
300 1DJN ADP 4.7619
301 1ZK7 FAD 4.7619
302 3MB5 SAM 4.7619
303 2AWN ADP 4.7619
304 4EIP FAD 4.7619
305 5JCA FAD 4.7619
306 4NEC SAH 4.7619
307 5JCA NDP 4.7619
308 3GMB FAD 4.7619
309 5K0A FAD 4.7619
310 3VYW SAM 4.7619
311 1NW5 SAM 4.7619
312 1JJV ATP 4.85437
313 5N5D SAM 4.86726
314 6F5Z SAH 4.91803
315 1O94 ADP 5
316 2Q46 NAP 5.15873
317 5OJL TXP 5.15873
318 5KKA 6V0 5.15873
319 5LD5 NAD 5.15873
320 1RM0 D6P 5.15873
321 1RM0 NAI 5.15873
322 5MPT SAH 5.15873
323 3NJ4 AFX 5.15873
324 3NJ4 NAD 5.15873
325 1E1M FAD 5.15873
326 1E1M NAP 5.15873
327 2GSD NAD 5.15873
328 1DLJ NAI 5.15873
329 1E6E FAD 5.15873
330 1DLJ UGA 5.15873
331 3X0D SAH 5.15873
332 4D04 NAP 5.15873
333 4D04 FAD 5.15873
334 1U1I NAD 5.15873
335 2E0N SAH 5.15873
336 2E5V FAD 5.15873
337 5JY6 NAD 5.15873
338 5DNK SAH 5.15873
339 3I53 SAH 5.15873
340 6F7L FAD 5.15873
341 5J60 FAD 5.15873
342 1USI PHE 5.15873
343 1GV0 NAD 5.16129
344 4Y24 TD2 5.19481
345 4R2I ANP 5.2381
346 3DXY SAM 5.50459
347 1E7S NAP 5.55556
348 4G5H NAP 5.55556
349 4G5H UD7 5.55556
350 5ZI2 NAD 5.55556
351 5ZI2 ADP 5.55556
352 4R5M NAP 5.55556
353 4R5M 4NO 5.55556
354 5THY SAH 5.55556
355 4A6D SAM 5.55556
356 6D6Y SAH 5.55556
357 1N7G NDP 5.55556
358 1X14 NAD 5.55556
359 5UAV TFB 5.55556
360 1N7G GDR 5.55556
361 1H82 GZZ 5.55556
362 1NVM NAD 5.55556
363 5KOX FAD 5.55556
364 5KOX RFP 5.55556
365 5THZ SAH 5.55556
366 1H82 FAD 5.55556
367 5UAV NDP 5.55556
368 3T7S SAM 5.55556
369 1LUA NAP 5.55556
370 1D1T NAD 5.55556
371 3EVG SAH 5.55556
372 5I34 GDP 5.55556
373 1TDF NAP 5.55556
374 4BJZ P3A 5.55556
375 4BJZ FAD 5.55556
376 5MBX SP5 5.55556
377 5MBX FAD 5.55556
378 3WLE NAD 5.55556
379 1EK6 NAI 5.95238
380 1EK6 UPG 5.95238
381 3KO8 NAD 5.95238
382 5IN4 6CK 5.95238
383 5IN4 GDP 5.95238
384 4ZRN NAD 5.95238
385 5IN4 NAP 5.95238
386 4O1M NAD 5.95238
387 4ZRN UPG 5.95238
388 5BJX NAD 5.95238
389 5BJX UDP 5.95238
390 2HK9 ATR 5.95238
391 1PL6 NAD 5.95238
392 3ABI NAD 5.95238
393 5OCM NAP 5.95238
394 3CGD FAD 5.95238
395 4KOA NDP 5.95238
396 3CGD NAD 5.95238
397 3CGD COA 5.95238
398 2IXB A2G 5.95238
399 2HK9 NAP 5.95238
400 1D4D FAD 5.95238
401 4KIB SAH 5.95238
402 4RQU NAD 5.95238
403 1RM4 NDP 5.95238
404 2IXB NAD 5.95238
405 4N49 SAM 5.95238
406 3FUU ADN 5.95238
407 2C7G FAD 5.95238
408 2C7G ODP 5.95238
409 1PL6 572 5.95238
410 2Z3Y F2N 5.95238
411 2QRK AMP 5.95238
412 1GPM AMP 5.95238
413 4POO SAM 6
414 5OOH 9ZZ 6.31068
415 5OOH NAP 6.31068
416 6BWL NAD 6.34921
417 5NUF NAD 6.34921
418 5NUE NAD 6.34921
419 3CIF NAD 6.34921
420 1CF2 NAP 6.34921
421 4E5N NAD 6.34921
422 5U5N NAD 6.34921
423 4MOP 2H5 6.34921
424 6AA8 NAD 6.34921
425 5HVJ ANP 6.34921
426 4Z0H NAD 6.34921
427 5Z21 NAI 6.34921
428 2PWY SAH 6.34921
429 3O9Z AKG 6.34921
430 3O9Z NAD 6.34921
431 6A3J NAI 6.34921
432 5FJN FAD 6.34921
433 5FJN BE2 6.34921
434 1COY FAD 6.34921
435 4C3Y FAD 6.34921
436 1SAY PYR 6.34921
437 6A3J SOE 6.34921
438 1QO8 FAD 6.34921
439 2GLX NDP 6.34921
440 5TOW ADN 6.34921
441 5TOW NAI 6.34921
442 3NKS FAD 6.34921
443 1REO FAD 6.34921
444 1CDO NAD 6.34921
445 4C3Y ANB 6.34921
446 3CIF G3H 6.34921
447 5EIN NAP 6.39535
448 5MSO NAP 6.74603
449 3WMX NAD 6.74603
450 5L4L NAP 6.74603
451 1VL0 NAI 6.74603
452 5F5N NAD 6.74603
453 1X87 NAD 6.74603
454 1UWK URO 6.74603
455 1UWK NAD 6.74603
456 1WDK NAD 6.74603
457 3V1Y NAD 6.74603
458 5L4L 7OX 6.74603
459 1EBF NAD 6.74603
460 1I2B UPG 6.74603
461 1I2B NAD 6.74603
462 1I2B USQ 6.74603
463 6C4T NA7 6.74603
464 3T31 DCQ 6.74603
465 3T31 FAD 6.74603
466 3TWO NDP 6.74603
467 4JDR FAD 6.74603
468 5I39 FAD 6.74603
469 4TXI FAD 6.74603
470 3GF4 UPG 6.74603
471 5BRT CH9 6.74603
472 5BRT FAD 6.74603
473 1YY5 FAD 6.74603
474 5YF1 SFG 6.74603
475 2IID FAD 6.74603
476 2IID PHE 6.74603
477 3GF4 FAD 6.74603
478 3BOF HCS 6.74603
479 5BUK FAD 6.74603
480 4KRG SAH 6.74603
481 1Q8A HCS 6.74603
482 2BRY FAD 6.74603
483 1RSG FAD 6.97674
484 1VM6 NAD 7.01754
485 5HWK BEZ 7.08333
486 1V8B NAD 7.09812
487 3A06 NDP 7.14286
488 1A5Z NAD 7.14286
489 2A92 NAI 7.14286
490 1CER NAD 7.14286
491 6ER9 FAD 7.14286
492 6ER9 NAP 7.14286
493 3A06 FOM 7.14286
494 4W6Z 8ID 7.14286
495 3UCL CYH 7.14286
496 3UCL FAD 7.14286
497 4KRI SAH 7.14286
498 5YU3 NAD 7.14286
499 5YU3 PRO 7.14286
500 1VKO NAD 7.14286
501 2AG8 NAP 7.14286
502 1TB4 PEJ 7.14286
503 2DC1 NAD 7.20339
504 4QTU SAM 7.21154
505 2BOS GLA GAL GLC 7.35294
506 2BOS GLA GAL GLC NBU 7.35294
507 4DXG NDG FUC SIA GAL 7.35294
508 2BKA NDP 7.43802
509 1H2B NAJ 7.52089
510 4U7W NDP 7.53968
511 2OOR NAD 7.53968
512 5WP5 SAH 7.53968
513 1FP1 SAH 7.53968
514 1PJS NAD 7.53968
515 4K5S FAD 7.53968
516 4K5S PM0 7.53968
517 4DSG UDP 7.53968
518 4DSG FAD 7.53968
519 1L7E NAI 7.53968
520 3PT9 SAH 7.53968
521 1KNR FAD 7.53968
522 1NPD NAD 7.53968
523 3K7M FAD 7.53968
524 5EOW FAD 7.53968
525 4M52 FAD 7.53968
526 1NM5 NAD 7.53968
527 5TS5 FAD 7.53968
528 1E3I CXF 7.53968
529 1EJ0 SAM 7.77778
530 2F5Z FAD 7.8125
531 2C29 NAP 7.93651
532 2C29 DQH 7.93651
533 1SOW NAD 7.93651
534 4C4A SAH 7.93651
535 1RYI GOA 7.93651
536 4CJX NAP 7.93651
537 1RYI FAD 7.93651
538 1LJ8 NAD 7.93651
539 1M2W NAD 7.93651
540 1C0I BE2 7.93651
541 1C0I FAD 7.93651
542 5WC2 ADP 7.93651
543 5T8U LPA 7.93651
544 2GCG NDP 7.93651
545 5EES NAP 8.09717
546 2YVJ NAI 8.25688
547 1WVG APR 8.33333
548 1RPN NDP 8.33333
549 2C5A NAD 8.33333
550 2C5A GDC 8.33333
551 6BII NAP 8.33333
552 1RJD SAM 8.33333
553 2VTD LKM 8.33333
554 4UP3 NDP 8.33333
555 5Y77 FAD 8.33333
556 2IVD FAD 8.33333
557 1I36 NAP 8.73016
558 2CVQ NDP 8.73016
559 1DSS NAD 8.73016
560 2VYN NAD 8.73016
561 3LST SAH 8.73016
562 3LZW FAD 8.73016
563 3LZW NAP 8.73016
564 2DBZ NAP 8.73016
565 1GPE FAD 8.73016
566 1GTE FAD 8.73016
567 5BW4 SAM 8.73016
568 1GR0 NAD 8.73016
569 4NTC FAD 8.73016
570 1U8X NAD 8.73016
571 5VN0 FAD 8.73016
572 2FWP ICR 8.74317
573 2FWP CIT 8.74317
574 1LLU NAD 8.77193
575 3G89 SAM 8.83534
576 5J6Y GLC 9.04255
577 5J6Y BGC 9.04255
578 2IZ1 ATR 9.12698
579 4ZGS NAD 9.12698
580 5UR0 NAD 9.12698
581 4L8V NAP 9.12698
582 2JB2 FAD 9.12698
583 2JB2 PHE 9.12698
584 5X62 SAH 9.12698
585 5Z75 NAD 9.17431
586 4PVD NDP 9.52381
587 3VPH NAD 9.52381
588 3CMC NAD 9.52381
589 5CAE COA 9.52381
590 3VPH OXM 9.52381
591 4PLT NAI 9.52381
592 4PLT OXM 9.52381
593 1TI7 NAP 9.52381
594 5MZI FYK 9.52381
595 5MZI FAD 9.52381
596 3L9W AMP 9.52381
597 5CAE SIN 9.52381
598 3L9W GSH 9.52381
599 4PNE SAH 9.52381
600 1R37 NAD 9.79827
601 6CEP NAD 9.88024
602 6CEP OXM 9.88024
603 1V35 NAI 9.92064
604 3TKY SAH 9.92064
605 4PLG NAI 9.92064
606 4PLG OXM 9.92064
607 1P31 EPU 9.92064
608 6C5B SAH 9.92064
609 6A0S NDP 9.92064
610 6A0S HSE 9.92064
611 3BY9 SIN 9.92064
612 2DT5 NAD 9.95261
613 1BW9 NAD 10.3175
614 1C1X NAD 10.3175
615 5MIT NAP 10.3175
616 5MIT FAD 10.3175
617 1BXG NAD 10.3175
618 5ZYN FAD 10.3175
619 1O0S NAI 10.3175
620 1LVL NAD 10.3175
621 6F97 FAD 10.3175
622 2R4J FAD 10.3175
623 2R4J 13P 10.3175
624 1SQF SAM 10.3175
625 6GAR FAD 10.3175
626 4GUT FAD 10.4839
627 4HSU FAD 10.4839
628 5AHO TLA 10.7143
629 2EXX NAP 10.7143
630 3ICS ADP 10.7143
631 1P77 ATR 10.7143
632 3ICT ADP 10.7143
633 3ICT FAD 10.7143
634 3ICR FAD 10.7143
635 3ICS FAD 10.7143
636 5KVS NAP 10.7143
637 1SC6 NAD 10.7143
638 3CTY FAD 10.7143
639 1YB5 NAP 10.7143
640 5ODQ FAD 10.8696
641 1JG3 ADN 11.0638
642 5U5G NAP 11.1111
643 3QVP FAD 11.1111
644 3KLJ FAD 11.1111
645 1NVT NAP 11.1498
646 4XZ3 COA 11.3043
647 4XYM COA 11.3043
648 2J9L ATP 11.3514
649 4OM8 NAD 11.5079
650 2VHW NAI 11.5079
651 1UP7 NAD 11.5079
652 5DN9 NAD 11.5079
653 1GY8 NAD 11.5869
654 1JAY NAP 11.7925
655 1OC2 NAD 11.9048
656 1OC2 TDX 11.9048
657 1MV8 NAD 11.9048
658 1MUU NAD 11.9048
659 3SSO SAH 11.9048
660 5N0J FAD 11.9048
661 2ZXI FAD 11.9048
662 3QV1 NAD 12.1951
663 4ZVV NAD 12.3016
664 4ZVV GN0 12.3016
665 4YRY FAD 12.3016
666 4YRY NAD 12.3016
667 6EL3 NAP 12.6984
668 9LDT NAD 12.6984
669 9LDB NAD 12.6984
670 3H9E NAD 12.6984
671 3UOY NAP 12.6984
672 3UOY FAD 12.6984
673 2JHF NAD 12.6984
674 1HKU NAD 12.6984
675 4II2 ATP 12.6984
676 4YSX FAD 12.8205
677 5KMS NAD 13.0952
678 1JNR FAD 13.3333
679 5ZZ6 ADP 13.4615
680 5ZZ6 NAD 13.4615
681 2B5W NAP 13.4921
682 5TUF TDC 13.4921
683 5TUF FAD 13.4921
684 4FZV SAM 13.8075
685 3RGG AIR 13.8365
686 5K4W NAI 13.8889
687 5K4W THR 13.8889
688 1KOL NAD 13.8889
689 3L8G GMB 13.9037
690 1T26 NAI 14.2857
691 1T26 GBD 14.2857
692 3BAZ NAP 14.2857
693 5TC4 NAD 14.2857
694 5H81 NAP 14.2857
695 6FHO FAD 14.2857
696 5ZEC NAP 14.6825
697 2NPX FAD 14.6825
698 2NPX NAD 14.6825
699 2D7I NGA 14.6825
700 2D7I UDP 14.6825
701 3DMH SAM 15.0794
702 3B1F NAD 15.4762
703 5XNC MTA 15.4762
704 2WA2 SAM 15.4762
705 1HDG NAD 15.873
706 2EJU SAH 15.873
707 2EG5 SAH 15.873
708 5NC1 NAG 16.0338
709 1GZ4 ATP 16.2698
710 5U8U FAD 16.2698
711 2VUT NAD 16.2791
712 2HJR APR 16.6667
713 2GZ3 NAP 16.6667
714 1YQZ FAD 16.6667
715 4EUE NAI 17.0635
716 2F1K NAP 17.0635
717 5WP4 SAH 17.0635
718 2XYQ SAH 17.0635
719 5F8F SFG 17.2414
720 4D42 NAP 17.8571
721 4D42 W0I 17.8571
722 4J36 1HR 17.8571
723 4J36 FAD 17.8571
724 4BTV RB3 17.8571
725 5NA1 FAD 17.8571
726 1Z45 NAD 18.254
727 5MLR NAP 18.254
728 5MLR GRQ 18.254
729 2ZJ1 NAD 18.254
730 2ZJ1 ARJ 18.254
731 3G5S FAD 18.254
732 5N2I NAP 18.5345
733 2DKN NAI 18.6508
734 1FK8 NAD 18.6508
735 1HYE NAP 18.6508
736 6C8R SAH 18.6508
737 3O26 NDP 19.4444
738 4PIV NDP 19.4444
739 2Q1W NAD 19.4444
740 2V6G NAP 19.8413
741 5YEC ATP 20.1681
742 1LDM NAD 20.2381
743 3B20 NAD 20.2381
744 3B1J NAD 20.2381
745 5L4S 6KX 20.6349
746 5L4S NAP 20.6349
747 2D2I NAP 20.6349
748 2PZM UDP 21.0317
749 2PZM NAD 21.0317
750 5BVA FAD 21.0317
751 4OHU NAD 21.4286
752 4OHU 2TK 21.4286
753 2HMT NAI 21.5278
754 4HXY NDP 21.6895
755 5L53 NAP 21.8254
756 5DF1 NAP 22.2222
757 5DF1 58X 22.2222
758 4TQG NDP 23.0159
759 2Q0L NAP 23.0159
760 1Y1P NMN AMP PO4 24.2063
761 1UXG FUM 26.5873
762 1UXG NAD 26.5873
763 1HDR NAD 26.9841
764 3A4V PYR 28.1746
765 3A4V NAD 28.1746
766 3RFV NAI 28.5714
767 3RFV 15L 28.5714
768 2GAG FOA 29.2929
769 4J7U YTZ 29.8611
770 4J7U NAP 29.8611
771 3ORF NAD 30.6773
772 4K26 NDP 31.746
773 4K26 SFF 31.746
774 3RJ5 NAD 32.1429
775 1XSE NDP 32.5397
776 4YAC NAI 32.5397
777 4Q9N NAI 32.5397
778 3CH6 NAP 32.9365
779 3CH6 311 32.9365
780 5GT9 NAP 34.5238
781 4YAG NAI 35.3175
782 1A27 NAP 35.3175
783 3HB5 NAP 35.3175
784 1OAA OAA 35.3175
785 1Z6Z NAP 35.7143
786 1D7O TCL 35.7143
787 1D7O NAD 35.7143
788 4Y9D NAI 36.1111
789 5WQP NAP 38.0342
790 5WQP NCA 38.0342
791 3TN7 NJP 38.0952
792 2PD4 DCN 38.4921
793 2PD4 NAD 38.4921
794 4ZU3 4SD 38.7665
795 1W73 NAP 38.8889
796 1W8D NAP 38.8889
797 3WXB NDP 39.2857
798 1GZ6 NAI 39.6825
799 1SNY NAP 39.6825
800 1W6U NAP 40.0794
801 1N5D NDP 40.0794
802 1WMA NDP 40.4762
803 1WMA AB3 40.4762
804 4O0L NDP 41.0909
805 2PK3 A2R 41.2698
806 3OIG NAD 41.2698
807 3ZV6 NAD 41.6667
808 3ZV6 4HB 41.6667
809 1NNU NAD 41.6667
810 1NNU TCT 41.6667
811 5I7S NAD 42.0635
812 5I7S E9P 42.0635
813 5O98 NAP 42.4603
814 1QG6 NAD 42.4603
815 1QG6 TCL 42.4603
816 1ZBQ NAD 42.8571
817 2BD0 NAP 43.0328
818 3OJF NDP 43.254
819 3OJF IMJ 43.254
820 5CG1 NAD BBN 43.6508
821 4FC7 COA 44.4444
822 4FC7 NAP 44.4444
823 3ZIA ADP 44.4444
824 4ITU NAI 44.6097
825 4ITU 1HS 44.6097
826 2BGM NAJ 44.964
827 2GDZ NAD 45.2381
828 1XG5 NAP 45.6349
829 5O42 BGC 46.3504
830 5O42 NAD 46.3504
831 5O42 9JW 46.3504
832 1BDB NAD 46.4286
833 2JAH NDP 46.5587
834 3GEG NAD 46.9636
835 2WYV NAD 47.2222
836 1HDC CBO 47.619
837 2JAP NDP 47.7733
838 1LSS NAD 47.8571
839 1PR9 NAP 47.9508
840 3D3W NAP 47.9508
841 1NFQ NAI 48.0159
842 5G4L NDP 48.8095
843 1ZK4 AC0 49.4024
844 1ZK4 NAP 49.4024
845 3H4V DVP 49.6032
846 3H4V NAP 49.6032
847 1AE1 NAP 50
848 5GWT NAD 50
849 5GWT SIN 50
Pocket No.: 2; Query (leader) PDB : 3SJ7; Ligand: NDP; 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: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SJ7; Ligand: NDP; Similar sites found with APoc: 77
This union binding pocket(no: 3) in the query (biounit: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5JGL SAM 0.793651
2 2PXX SAH 0.930233
3 5ME4 HP4 1.19048
4 5GQI CTP 1.21457
5 1XCL SAH 1.2766
6 3GCZ SAM 1.5873
7 1TZD ADP 1.98413
8 1RJW ETF 2.38095
9 2WPB ZZI 2.38095
10 2BMB PMM 2.38095
11 5DXA SFG 2.38095
12 5DWQ SFG 2.38095
13 1Y8Q ATP 2.77778
14 1NML CIT 2.77778
15 2WPF FAD 2.77778
16 2WPF WPF 2.77778
17 2PZE ATP 3.05677
18 3GDH SAH 3.3195
19 2HUI GLV 3.57143
20 3M89 GSP 3.57143
21 2GN3 MMA 3.57143
22 3ULK NDP 3.57143
23 2GN3 MAN 3.57143
24 4JLS 3ZE 3.94737
25 1I7Q PYR 4.14508
26 5GM1 SAH 4.3771
27 5OFW 9TW 4.4843
28 2FKA BEF 4.65116
29 3KL3 GCU 4.7619
30 5K7U SAM 4.88889
31 2GUD MAN 4.91803
32 2GUC MAN 4.91803
33 5YRG BGC GLC 4.92958
34 5YRJ BGC GLC 4.92958
35 3OFK SAH 5.09259
36 3GAC ENO 5.12821
37 3TLJ SAH 5.15873
38 1HGX 5GP 5.46448
39 3FSY SCA 5.55556
40 2P41 SAH 5.55556
41 1VB3 KPA 5.55556
42 1N1G BCP 5.55556
43 1NAA 6FA 5.55556
44 1NAA ABL 5.55556
45 2X1L ADN 5.55556
46 3LKZ SFG 5.55556
47 4IRP UDP 5.57769
48 3KIF GDL 5.66038
49 4YMH SAH 5.83333
50 5CUQ NSC 6.74157
51 2P3I MNA 6.8323
52 2JDU MFU 6.95652
53 5JJR SAH 7.14286
54 1FDJ 13P 7.43802
55 2BOI MFU 7.9646
56 2EFJ SAH 8.33333
57 5LOG SAH 8.58369
58 3MQ2 SAH 8.7156
59 4BVA NDP 8.73016
60 5TDF 7A3 8.73016
61 5W7M SAH 9.12698
62 5LKC FUC GLA A2G 9.12698
63 5MW4 5JU 9.12698
64 1TE2 PGA 10.177
65 5FUB SAH 11.1111
66 3KIH GDL 11.3402
67 1F8F NAD 11.5079
68 6FLZ MMA 11.8056
69 2VN9 GVD 11.9048
70 5FTW SAH 12.1094
71 5YB7 FAD 12.3016
72 5YB7 ORN 12.3016
73 4Z4P SAH 12.6506
74 4LHD GLY 13.0952
75 3P2E SAH 17.7778
76 5FA5 MTA 19.4444
77 3ACC 5GP 20.442
Pocket No.: 4; Query (leader) PDB : 3SJ7; Ligand: NDP; 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: 3sj7.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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