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Receptor
PDB id Resolution Class Description Source Keywords
4GLW 2 Å EC: 6.5.1.2 DNA LIGASE A IN COMPLEX WITH INHIBITOR STREPTOCOCCUS PNEUMONIAE DNA LIGASE A INHIBITOR LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: STRUCTURE-GUIDED DESIGN, SYNTHESIS AND BIOLOGICAL E OF NOVEL DNA LIGASE INHIBITORS WITH IN VITRO AND IN ANTI-STAPHYLOCOCCAL ACTIVITY. BIOORG.MED.CHEM.LETT. V. 22 6705 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0XT A:402;
B:402;
Valid;
Valid;
none;
none;
Kd = 0.8 uM
206.205 C8 H10 N6 O Cc1c(...
NMN B:403;
Valid;
none;
submit data
335.227 C11 H16 N2 O8 P c1cc(...
SO4 A:401;
B:401;
Invalid;
Invalid;
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
4GLW 2 Å EC: 6.5.1.2 DNA LIGASE A IN COMPLEX WITH INHIBITOR STREPTOCOCCUS PNEUMONIAE DNA LIGASE A INHIBITOR LIGASE-LIGASE INHIBITOR COMPLEX
Ref.: STRUCTURE-GUIDED DESIGN, SYNTHESIS AND BIOLOGICAL E OF NOVEL DNA LIGASE INHIBITORS WITH IN VITRO AND IN ANTI-STAPHYLOCOCCAL ACTIVITY. BIOORG.MED.CHEM.LETT. V. 22 6705 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4GLW Kd = 0.8 uM 0XT C8 H10 N6 O Cc1c(nc2c(....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1TA8 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 4LH7 ic50 = 34 uM 1X8 C9 H8 N4 O2 S c1c2c(c(cn....
3 4LH6 ic50 = 77 uM 1X7 C8 H6 Br N3 O S c1c2c(c(cn....
4 5FPO - 10L C7 H7 N3 c1cc2cn[nH....
5 5FPR - LGA C4 H5 N3 c1cnc(nc1)....
6 4CC6 ic50 = 0.23 uM L5Y C14 H12 F3 N5 O c1cncc2c1c....
7 4CC5 Kd = 38 uM L5V C6 H4 Cl N5 c1c(nc(cn1....
8 4GLW Kd = 0.8 uM 0XT C8 H10 N6 O Cc1c(nc2c(....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TA8 - NMN C11 H16 N2 O8 P c1cc(c[n+]....
2 4LH7 ic50 = 34 uM 1X8 C9 H8 N4 O2 S c1c2c(c(cn....
3 4LH6 ic50 = 77 uM 1X7 C8 H6 Br N3 O S c1c2c(c(cn....
4 5FPO - 10L C7 H7 N3 c1cc2cn[nH....
5 5FPR - LGA C4 H5 N3 c1cnc(nc1)....
6 4CC6 ic50 = 0.23 uM L5Y C14 H12 F3 N5 O c1cncc2c1c....
7 4CC5 Kd = 38 uM L5V C6 H4 Cl N5 c1c(nc(cn1....
8 4GLW Kd = 0.8 uM 0XT C8 H10 N6 O Cc1c(nc2c(....
9 3PN1 ic50 = 0.507 uM IVH C14 H21 N5 O4 S CCCCSc1nc(....
10 4UFZ - IWH C15 H16 N2 O2 Cc1ccc(c(c....
11 3UQ8 Kd = 45 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0XT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 0XT 1 1
2 DX1 0.42 0.75
Ligand no: 2; Ligand: NMN; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 NMN 1 1
2 NNR 0.693548 0.818182
3 NCN 0.647887 0.892308
4 8ID 0.524752 0.807692
5 NGD 0.514563 0.831169
6 NHD 0.509434 0.875
7 NAD 0.509434 0.875
8 NAJ 0.504762 0.875
9 NDO 0.491071 0.888889
10 NAP 0.486726 0.888889
11 NFD 0.486239 0.828947
12 NBP 0.465517 0.831169
13 DND 0.461538 0.851351
14 NXX 0.461538 0.851351
15 A3D 0.421053 0.863014
16 N01 0.417391 0.849315
17 AMP NAD 0.415929 0.849315
18 CH 0.407407 0.849315
19 NA0 0.404959 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GLW; Ligand: NMN; Similar sites found with APoc: 231
This union binding pocket(no: 1) in the query (biounit: 4glw.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1UVC STE None
2 4K49 HFQ None
3 3LKJ LKJ None
4 4YEE 4CQ None
5 4D3F NAP 1.31148
6 2QZS GLC 1.63934
7 2QZS 250 1.63934
8 2QZS ADP 1.63934
9 5N26 CPT 1.64835
10 3UDG TMP 1.66113
11 4LZB URA 1.68067
12 3LL9 ADP 1.85874
13 1B09 PC 1.94175
14 5DX9 T6P 1.96721
15 3OV6 MK0 1.96721
16 1E5Q NDP 1.96721
17 4GN8 ASO 2.00669
18 1JG3 ADN 2.12766
19 1QK3 5GP 2.14592
20 4EWH T77 2.18182
21 5UAV NDP 2.29508
22 5L13 6ZE 2.29508
23 5W4W 9WG 2.29508
24 2BJK NAD 2.29508
25 5N9T 8QQ 2.29508
26 3VOZ 04A 2.29508
27 4I4Z 2NE 2.54545
28 4DHY S41 2.62295
29 3FXU TSU 2.62295
30 5FA6 NAP 2.62295
31 5FA6 FMN 2.62295
32 5FA6 FAD 2.62295
33 4UCI ADN 2.62295
34 5EHZ 5NZ 2.62295
35 4LGY ADP 2.62295
36 5YJS SAL 2.62295
37 5JE8 NAD 2.64901
38 1JQ3 AAT 2.7027
39 5NUL FMN 2.89855
40 4HWT 1B2 2.95082
41 1IZE IVA VAL VAL STA ALA STA 2.95082
42 1M2W NAD 2.95082
43 1VA6 P2S 2.95082
44 1VA6 ADP 2.95082
45 4BG4 ARG 2.95082
46 5N5S NAP 2.95082
47 5B6I ADN 2.95082
48 3ELW SAM 3
49 5F1V 3VN 3.0303
50 5VYR GMP 3.06513
51 5VYR B62 3.06513
52 5D63 FUC GLA GLA 3.07167
53 5D63 FUC GAL GLA 3.07167
54 1U7Z PMT 3.09735
55 2Q89 6CS 3.11284
56 6FE1 V14 3.11284
57 1O5O U5P 3.16742
58 3R4S SIA 3.27869
59 5AE9 OKO 3.27869
60 3F8D FAD 3.27869
61 3O9Z AKG 3.27869
62 4WZ8 3W7 3.27869
63 4PVV HO4 3.27869
64 2IGA XX3 3.27869
65 1BXK NAD 3.27869
66 6F97 FAD 3.27869
67 3O9Z NAD 3.27869
68 6DEF GCP 3.27869
69 2IGA XX2 3.27869
70 2C6Q NDP 3.27869
71 6GNF ADP 3.27869
72 2JK0 ASP 3.27869
73 1N2X SAM 3.32226
74 1RC0 KT5 3.34928
75 2CB8 MYA 3.44828
76 4CNG SAH 3.52941
77 2J4K U5P 3.53982
78 1B55 4IP 3.5503
79 2AKO ADP 3.58566
80 4A3R CIT 3.60656
81 4B2D FBP 3.60656
82 5NKB 8ZT 3.60656
83 1BVY FMN 3.60656
84 4YSW NAI 3.60656
85 4YSW FAD 3.60656
86 2UUU PL3 3.60656
87 2UUU FAD 3.60656
88 3LL5 ATP 3.61446
89 3LL5 IPE 3.61446
90 5KAX RHQ 3.61446
91 3LL5 ADP 3.61446
92 4WW8 VD9 3.80228
93 2QIA U20 3.81679
94 2WR8 SAH 3.861
95 4FBL SPD 3.91459
96 4HA6 FAD 3.93443
97 3E9I XAH 3.93443
98 4AUA 4AU 3.93443
99 4I3V NAD 3.93443
100 1LSH PLD 3.93443
101 5BSH PRO 3.97112
102 4B4Q A2G GAL NAG FUC GAL GLC 3.97351
103 4NDO ATP 4.07407
104 2WAT COA 4.09836
105 1I36 NAP 4.16667
106 1E8G FCR 4.2623
107 1E8G FAD 4.2623
108 2HIM ASP 4.2623
109 2HIM ASN 4.2623
110 5GS9 ARG 4.2623
111 1G51 AMP 4.2623
112 5KJW 53C 4.2623
113 5GXU FMN 4.2623
114 2Z48 A2G 4.2623
115 1WF3 GNP 4.31894
116 2YC5 6BC 4.38596
117 4AVV GHE 4.41176
118 4AVV CD 4.41176
119 4ZGR NGA GAL 4.45344
120 2IMP NAI 4.59016
121 4R84 CSF 4.59016
122 4ZDJ UTP 4.59016
123 2XIQ MLC 4.59016
124 3EYA FAD 4.59016
125 1LOJ U 4.5977
126 1LOJ URI 4.5977
127 1BZY IMU 4.60829
128 2ZQO NGA 4.61538
129 4WKI 3PW 4.68085
130 2FP2 TSA 4.81928
131 4G9N NGA 4.8951
132 5N5U 7N8 4.91803
133 4WHZ 3NL 4.91803
134 5C5H 4YB 4.91803
135 1JIF CU BLM 4.91803
136 5O2N NAG 4.91803
137 3KLL MAL 4.91803
138 1ATL 0QI 4.9505
139 3EM0 CHD 5.07246
140 4OWK NGA 5.07246
141 1UWZ THU 5.14706
142 5MUA GAL 5.24476
143 3NRR NAP 5.2459
144 5UR1 YY9 5.2459
145 2XCG XCG 5.2459
146 2BHZ MAL 5.2459
147 3NRR D16 5.2459
148 4AF0 IMP 5.2459
149 5F52 ASP 5.2459
150 3H0L ADP 5.31915
151 2PN6 GLN 5.33333
152 5FLJ QUE 5.37634
153 2FR6 CTN 5.47945
154 2FR6 URI 5.47945
155 5KF6 NAD 5.50607
156 5J6D 6H5 5.57377
157 4B0T ADP 5.57377
158 4ER2 IVA VAL VAL STA ALA STA 5.57377
159 3AJ6 NGA 5.59441
160 4C0R GDS 5.64516
161 1MQ0 BRD 5.71429
162 3KCC CMP 5.76923
163 4AZ3 S35 5.80645
164 2X24 X24 5.90164
165 3CV3 UDP 5.90164
166 1QPR PPC 5.98592
167 3IQE F42 6.00707
168 1V3S ATP 6.03448
169 5WL1 D3D 6.06061
170 5WL1 CUY 6.06061
171 2AZ5 307 6.08108
172 5Y4R C2E 6.12245
173 3UKR CKH 6.22951
174 5XLY C2E 6.40569
175 4IPH 1FJ 6.50407
176 5WGR PM7 6.55738
177 1DL5 SAH 6.55738
178 1KYQ NAD 6.56934
179 1CLU DBG 6.62651
180 2W9S NDP 6.8323
181 5TVF CGQ 6.88525
182 4ZCW 4NG 6.88525
183 3ZQ6 ADP ALF 6.88525
184 4LYA ATP 6.88525
185 4EBZ NAG NAG NAG NAG 7.07547
186 1B1C FMN 7.18232
187 2AL2 PEP 7.21311
188 2AL2 2PG 7.21311
189 2PTZ PAH 7.21311
190 3DZ6 M8E 7.46269
191 1I7M CG 7.46269
192 3DLG GWE 7.54098
193 4QIJ 1HA 7.54098
194 2GKS ADP 7.54098
195 2I8T GDD 7.78443
196 4Z87 GDP 7.86885
197 5IUW NAD 7.86885
198 3HDY FDA 7.86885
199 3HDY GDU 7.86885
200 4DDY DN6 7.98479
201 3MYZ TFX 8
202 4CO3 ATP 8.03571
203 4ZUL UN1 8.19672
204 1FDQ HXA 8.39695
205 5DNC ASN 8.52459
206 4R8L ASP 8.85246
207 4DXD 9PC 9.18033
208 5XDT MB3 9.18033
209 5L2M 6ZY 9.5082
210 5OCG 9R5 9.52381
211 4NG2 OHN 9.73451
212 1APZ ASP 9.87654
213 2DRC MTX 10.0629
214 2GMH UQ5 10.1639
215 4OE4 NAD 10.1639
216 3ZW2 GLA NAG GAL FUC 10.3448
217 3ZW2 NAG GAL FUC 10.3448
218 4USI ATP 10.3896
219 6FA4 D1W 10.4046
220 2Q97 ATP 10.4918
221 2E1A MSE 10.6667
222 5JFL NAD 10.8197
223 3RZ3 U94 11.4754
224 3EMY IVA VAL VAL STA ALA STA 12.1581
225 5TZO 7V7 12.234
226 6H39 FGY 13.964
227 4DPL NAP 14.0984
228 3IWD M2T 14.7059
229 3TCT 3MI 14.9606
230 2CJU PHX 20.354
231 5L83 ASP TRP GLU ILE VAL 28.5714
Pocket No.: 2; Query (leader) PDB : 4GLW; Ligand: 0XT; Similar sites found with APoc: 352
This union binding pocket(no: 2) in the query (biounit: 4glw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3GUZ PAF 1.13636
2 4AZW ATP 1.31148
3 5TA6 79D 1.31148
4 2CSN CKI 1.3468
5 4JR7 GNP 1.63934
6 2V58 LZJ 1.63934
7 3AKK ADP 1.63934
8 5MY8 RXZ 1.63934
9 4AG8 AXI 1.63934
10 1RE8 BD2 1.63934
11 3UIM ANP 1.63934
12 5X8I SQZ 1.63934
13 6BXI ANP 1.63934
14 2YAB AMP 1.63934
15 1UAS GLA 1.63934
16 6E2O S0L 1.69492
17 1V0O INR 1.73611
18 4NJH SAM 1.73913
19 4NJH 2K8 1.73913
20 5TO8 7FM 1.77305
21 3DLS ADP 1.96721
22 3K5I ADP 1.96721
23 3K5I AIR 1.96721
24 6GWR FEW 1.96721
25 3RI1 3RH 1.96721
26 4UAL 3FV 1.96721
27 1XJD STU 1.96721
28 2PYW ADP 1.96721
29 3NYC IAR 1.96721
30 3NYC FAD 1.96721
31 4BHN BH9 1.96721
32 5JKG 6LF 1.96721
33 3KRL KRL 1.96721
34 5DBX ANP 1.96721
35 4MV1 ADP 1.96721
36 3OV6 MK0 1.96721
37 4AT3 LTI 2.00669
38 2QCS ANP 2.06186
39 3VPC ADP 2.12766
40 4EWH T77 2.18182
41 1I7L ATP 2.29508
42 2R7K AMZ 2.29508
43 2R7K ACP 2.29508
44 1IOW ADP 2.29508
45 1IOW PHY 2.29508
46 3CY2 MB9 2.29508
47 4BTK DTQ 2.29508
48 4NFN 2KC 2.29508
49 5W4W 9WG 2.29508
50 2PZI AXX 2.29508
51 6GZD LCI 2.29508
52 1Y57 MPZ 2.29508
53 4KBA 1QM 2.29508
54 4Y93 746 2.29508
55 3C0G 3AM 2.29508
56 6ES0 BW8 2.29508
57 5N9T 8QQ 2.29508
58 3X01 AMP 2.29508
59 5IM3 DTP 2.29508
60 2WYV NAD 2.29885
61 5WO4 B7V 2.31788
62 3G5D 1N1 2.44755
63 6C7Y ADP 2.44755
64 1BYG STU 2.51799
65 2OFV 242 2.52708
66 3E85 BSU 2.53165
67 3AQV TAK 2.53623
68 5M06 ADP 2.53623
69 3KAL ADP 2.62295
70 4NZN 2OU 2.62295
71 4NZN ANP 2.62295
72 4U98 ACP 2.62295
73 4IX4 ADP 2.62295
74 2VPQ ANP 2.62295
75 6CMJ F6J 2.62295
76 4PZ6 GMP 2.62295
77 6A1G 9OL 2.62295
78 3PP0 03Q 2.62295
79 4EUU BX7 2.62295
80 3F3E LEU 2.62295
81 4FG8 ATP 2.62295
82 4CYI ATP 2.62295
83 5L2R MLA 2.62295
84 4IJP 1EH 2.62295
85 4USF 6UI 2.63158
86 3HAV ATP 2.67559
87 2ZV2 609 2.68456
88 4Q9N NAI 2.68456
89 5DEY 59T 2.6936
90 1JQ3 AAT 2.7027
91 4XV1 904 2.73973
92 2Y6O 1N1 2.74914
93 5A6N U7E 2.82686
94 4Y0X ADP 2.93333
95 5DZT AMP 2.95082
96 3V4S ATP 2.95082
97 3V4S ADP 2.95082
98 2WQN ADP 2.95082
99 2V7O DRN 2.95082
100 5MJA 7O3 2.95082
101 6BFN DL1 2.95082
102 4FL3 ANP 2.95082
103 2Q4H AMP 2.95082
104 4O1P ANP 2.95082
105 5CG1 NAD BBN 2.95082
106 2VN9 GVD 2.99003
107 1K3A ACP 3.01003
108 1PHK ATP 3.02013
109 3VPD ANP 3.20285
110 4O4F ATP 3.22581
111 3SRV S19 3.2491
112 5I35 ANP 3.27869
113 2B9F ADP 3.27869
114 5AE9 OKO 3.27869
115 3LXK MI1 3.27869
116 3HZT J60 3.27869
117 6FYL 3NG 3.27869
118 1OBD ATP 3.27869
119 6C0T EE4 3.27869
120 6GIN IR2 3.32226
121 4G31 0WH 3.34448
122 4AU8 Z3R 3.37838
123 4X7Q 3YR 3.52564
124 1EHI ADP 3.60656
125 4OCJ NDG 3.60656
126 4N70 2HX 3.60656
127 5VCV 1N1 3.60656
128 4DFU QUE 3.60656
129 3HMO STU 3.60656
130 4BFM ANP 3.60656
131 5LPZ ADP 3.60656
132 3GC8 B45 3.60656
133 5OES ADP 3.60656
134 3VRY B43 3.60656
135 4OH4 ANP 3.60656
136 2F2U M77 3.60656
137 2VQD AP2 3.60656
138 5YF9 NIO 3.60656
139 1SZ0 M6P 3.60656
140 1S68 AMP 3.61446
141 2PD4 DCN 3.63636
142 2PD4 NAD 3.63636
143 5IH1 6BQ 3.64238
144 5IH1 GDP 3.64238
145 4I94 ANP 3.66667
146 3PLS ANP 3.69128
147 5LPB ADP 3.71622
148 4WNP 3RJ 3.83275
149 2HGS ADP 3.93443
150 5AWM ANP 3.93443
151 1CKM GTP 3.93443
152 4OCV ANP 3.93443
153 5TDF ADP 3.93443
154 4AUA 4AU 3.93443
155 3MVH WFE 3.93443
156 1KJ8 ATP 3.93443
157 3UDZ ADP 3.93443
158 5C03 AGS 3.93443
159 1CKN GTP 3.93443
160 3ALN ANP 3.93443
161 2R5T ANP 3.93443
162 1LSH PLD 3.93443
163 5JZJ AN2 4.0404
164 5USZ SKE 4.15225
165 2Q7D ANP 4.2623
166 1GSA ADP 4.2623
167 2CFM AMP 4.2623
168 1T36 ADP 4.2623
169 1M0W ANP 4.2623
170 4M69 ANP 4.2623
171 5EH0 5NW 4.26357
172 6GU6 1QK 4.30464
173 2QQ0 THM 4.34783
174 2QQ0 ANP 4.34783
175 2VBU CDP 4.41176
176 2PR5 FMN 4.54545
177 3DNT ATP 4.59016
178 4PU5 ANP 4.59016
179 3TPV ADE 4.59016
180 4IZY 1J2 4.59016
181 3V8S 0HD 4.59016
182 5AX9 4KT 4.59016
183 4UX9 ANP 4.59016
184 4U44 3D9 4.59016
185 3ZRM ZRM 4.59016
186 3F7Z 34O 4.59016
187 5LGD PLM 4.59016
188 2PT9 S4M 4.59016
189 1O9U ADZ 4.59016
190 3SLS ANP 4.60526
191 1ZY5 ANP 4.62046
192 2C2A ADP 4.65116
193 4A4X JUP 4.6595
194 3M2W L8I 4.68227
195 4UNR QZE 4.7619
196 5COU ATP 4.91803
197 5DXT 5H5 4.91803
198 3E7O 35F 4.91803
199 5Y86 HRM 4.91803
200 5FI4 5XV 4.91803
201 5U6C 7YS 4.91803
202 3GNI ATP 4.91803
203 2B9J ADP 4.91803
204 2B9I ADP 4.91803
205 2B9H ADP 4.91803
206 1IR3 ANP 4.91803
207 1VLJ NAP 4.91803
208 4L3L 5FI 4.93421
209 3TM0 ANP 4.94297
210 3TM0 B31 4.94297
211 2I7C AAT 4.947
212 1IA9 ANP 5
213 5A89 ADP 5.12821
214 5A89 FMN 5.12821
215 4XZ3 ACP 5.21739
216 3ORQ ADP 5.2459
217 3PE2 E1B 5.2459
218 5TT6 ATP 5.2459
219 5OMY 9YE 5.2459
220 5ZCT ANP 5.2459
221 4QTB 38Z 5.2459
222 4OAV ACP 5.2459
223 5WS9 AMP 5.2459
224 3I0O ADP 5.2459
225 2BKK ADP 5.32544
226 1ZZ7 S0H 5.55556
227 2E56 MYR 5.55556
228 1E4E ADP 5.57377
229 3VOT ADP 5.57377
230 1OX5 1PR 5.57377
231 5BVE 4VG 5.57377
232 1Q8Y ADE 5.57377
233 4XH0 ADP 5.57377
234 5YK1 ANP 5.57377
235 5T8O 76Z 5.57377
236 3WVR AMP 5.57377
237 3UA1 08Y 5.57377
238 2Y3S TIR 5.57377
239 3GQI ACP 5.75221
240 4CSV STI 5.81818
241 4NTX AMR 5.88235
242 4XYM A12 5.90164
243 5HES 032 5.90164
244 4UWH JXM 5.90164
245 4YZC STU 5.90164
246 4YMJ 4EJ 5.92105
247 5LXT ACP 6.06742
248 4KS7 X4Z 6.16438
249 3WO0 ADP 6.22951
250 3WO0 ALA 6.22951
251 6CGD GNP 6.22951
252 6CGD AKN 6.22951
253 5NBW 8SK 6.30631
254 3SXS PP2 6.34328
255 4LRJ ANP 6.50888
256 1MEX RAC 6.51163
257 5C4L 4XR 6.55738
258 6FL8 ADP 6.55738
259 6FL8 TIY 6.55738
260 5C4L SIS 6.55738
261 4Y8D 49J 6.55738
262 2RHQ GAX 6.55738
263 3O0G 3O0 6.71141
264 3W0O HY0 6.88525
265 3W0O ADP 6.88525
266 4O12 2QG 6.88525
267 4CLI 5P8 6.88525
268 4ZS4 ATP 6.88525
269 1KRR ACO 6.89655
270 2AMT 1AA 6.91824
271 3GGF GVD 6.97674
272 1H2T GDP 7MG 7.05128
273 3TY5 ADP 7.21311
274 5WNL STU 7.21311
275 2WU6 DKI 7.21311
276 2QF7 AGS 7.21311
277 3TY5 ATP 7.21311
278 4DOO DAO 7.31707
279 5ZTN CUR 7.54098
280 4PNI KQQ 7.54098
281 1CM8 ANP 7.54098
282 5Y0Q APC 7.54098
283 2IO8 ADP 7.86885
284 5LI1 ANP 7.86885
285 4DC2 ADE 7.86885
286 1U5R ATP 7.86885
287 6FYV 3NG 7.86885
288 6GQM F8H 7.86885
289 3TXO 07U 7.86885
290 2QK4 ATP 7.86885
291 5LI9 ACP 7.86885
292 2A19 ANP 8
293 1UNH IXM 8.17308
294 2Z7R STU 8.19672
295 4H3Q ANP 8.19672
296 4H3P ANP 8.19672
297 2PUL ACP 8.19672
298 4IDT T28 8.19672
299 1U59 STU 8.36237
300 4O9S 2RY 8.37209
301 2PV7 NAD 8.38926
302 3LXN MI1 8.52459
303 6GUE FB8 8.60927
304 4BCM T7Z 8.63787
305 4BCN T9N 8.66667
306 4OTH DRN 8.85246
307 4G17 0VN 8.85246
308 6AC9 ANP 8.85246
309 4E1Z 0MX 8.93471
310 3DAK ANP 8.96552
311 5UIU 8CG 9.18033
312 1JCM 137 9.26641
313 3D72 FAD 9.39597
314 6F3G CJN 9.49153
315 2HJ4 PNZ 9.5082
316 5MW8 ATP 9.5082
317 1JBU BEN 9.52381
318 2AG4 LP3 9.7561
319 1Z2P ACP 9.83607
320 1Z2P I3S 9.83607
321 4HIA FMN 10.2273
322 3RE4 TO1 10.4651
323 1PK8 ATP 10.4918
324 1AUX AGS 10.4918
325 2YW2 ATP 10.4918
326 3PVW QRX 10.4918
327 3VPB ADP 10.7143
328 6G34 5ID 10.8197
329 5T2Z 017 11.1111
330 3E5A VX6 11.3636
331 1MJJ HAL 11.4155
332 3C1X CKK 11.4754
333 3ETH ATP 11.8033
334 1YKD CMP 12.7869
335 5H2U 1N1 13.1086
336 2GAG FAD 13.1313
337 6CZ3 FLJ 13.2576
338 5C1P DAL DAL 13.7705
339 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 13.7705
340 2JDR L20 13.7705
341 5C1P ADP 13.7705
342 2RIF AMP 14.8936
343 3JVH HHV 15.3005
344 5K2M ADP 16.9811
345 4WW7 AMP 17.1123
346 3AD8 FAD 20.6897
347 3AD8 PYC 20.6897
348 3TDV GDP 20.9836
349 6E2B PT7 26.3158
350 4Q5H ANP 28.9474
351 4WB6 ATP 35
352 4WB7 ATP 35
Pocket No.: 3; Query (leader) PDB : 4GLW; Ligand: 0XT; Similar sites found with APoc: 83
This union binding pocket(no: 3) in the query (biounit: 4glw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5H5O PCG 1.55039
2 3PDT ADP 1.81818
3 1NZY BCA 1.85874
4 1JXZ BCA 1.85874
5 5GZ9 ANP 1.96721
6 4WNK 453 1.96721
7 2PVF ACP 1.96721
8 2AQX ATP 2.07612
9 4H6B 10X 2.5641
10 5FBN 5WF 2.58303
11 4GYI ADP 2.62295
12 3Q60 ATP 2.62295
13 4I6G FAD 2.62295
14 2J4D FAD 2.62295
15 2J7T 274 2.64901
16 4CQE CQE 2.8777
17 5VZ0 ADP 2.95082
18 5JFS 6K0 2.95082
19 6C6O ENG 2.95082
20 2IHU TP9 2.95082
21 4U0I 0LI 2.95082
22 3NW7 LGV 2.95082
23 2PVN P63 2.95082
24 4K33 ACP 2.95082
25 6EZ6 C5Z 3.27869
26 1NP7 FAD 3.27869
27 5JGA 6KC 3.27869
28 4F4P 0SB 3.2967
29 5N87 N66 3.60656
30 1XDN ATP 3.61011
31 4MNS 2AX 3.77358
32 3E2M E2M 3.78378
33 1QIN GIP 3.82514
34 4IWN GEK 3.93013
35 1KJ8 GAR 3.93443
36 5QIN J2V 3.93443
37 2X2M X2M 3.93443
38 5HQ0 LZ9 4.30464
39 5DRB 5FJ 4.46735
40 4C2V YJA 4.5614
41 2JLD AG1 4.59016
42 6GN6 MAL 4.59016
43 5A5W GUO 4.74308
44 1ME8 RVP 4.91803
45 3BU5 ATP 4.91803
46 3CQL NAG 4.93827
47 2VQ5 HBA 4.97512
48 5UR1 YY9 5.2459
49 3KA2 2NC 5.41872
50 4Q5M ROC 5.41872
51 2HK5 1BM 5.55556
52 1Q8Y ADP 5.57377
53 3OJF IMJ 5.83658
54 3OJF NDP 5.83658
55 5Y80 IRE 6.55738
56 4LOO SB4 6.55738
57 2XK9 XK9 6.55738
58 3HSS MLA 6.82594
59 3IDB ANP 6.8323
60 3TKI S25 6.88525
61 1ZBQ NAD 6.88525
62 2HY0 306 6.88525
63 4F9C 0SX 6.94444
64 2J9D ADP 7.56302
65 5ZQS XYP 7.86885
66 3FWN ATR 7.86885
67 1O5R FR9 7.86885
68 5A3T MMK 8.19672
69 4YZN 4K5 8.36237
70 4CFU 2WC 8.58086
71 5VC5 96M 8.65052
72 5HVJ ANP 9.18033
73 1WVG CXY 9.5082
74 1OPK P16 10.1639
75 3ORK AGS 10.4918
76 2YAK OSV 10.5263
77 4TWP AXI 11.0701
78 2TPS TPS 11.4537
79 4OGQ 7PH 11.4754
80 4NST ADP 12.3134
81 2GAG FOA 13.1313
82 2GJ5 VD3 16.0494
83 5LGA 6VH 17.377
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