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Receptor
PDB id Resolution Class Description Source Keywords
4XT7 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2671 FROM MYCOBACTERIUM TUBERCULOSIS WITH NADP+ AND TRIMETHOPRIM MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) TRIMETHOPRIM REDUCTASE STRUCTURAL GENOMICS TB STRUCTURAL CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO MYCOBACTERIUM TUBERCULOSIS PROTEIN AS A DIHYDROFOLATE REDUCTASE FUNCTIONAL ANA CONTRIBUTING TO PARA-AMINOSALICYLIC ACID RESISTANCE BIOCHEMISTRY V. 55 1107 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:304;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
GOL A:303;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAP A:301;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
TOP A:302;
Valid;
none;
ic50 = 93.5 uM
290.318 C14 H18 N4 O3 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XT8 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV2671 FROM MYCOBACTERIUM TUBERCULOSIS WITH NADP+ AND TRIMETREXATE MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) TRIMETREXATE REDUCTASE STRUCTURAL GENOMICS TB STRUCTURAL CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO MYCOBACTERIUM TUBERCULOSIS PROTEIN AS A DIHYDROFOLATE REDUCTASE FUNCTIONAL ANA CONTRIBUTING TO PARA-AMINOSALICYLIC ACID RESISTANCE BIOCHEMISTRY V. 55 1107 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4XT8 ic50 = 0.28 uM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
2 4XT4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4XT7 ic50 = 93.5 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4XT6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4XT5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 4XRB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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
Ligand no: 2; Ligand: TOP; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 TOP 1 1
2 DH3 0.540541 0.807018
3 MUJ 0.492754 0.918367
4 31I 0.421053 0.730159
5 XCF 0.417722 0.886792
6 I2H 0.417722 0.886792
7 53J 0.4 0.707692
8 53I 0.4 0.707692
9 RAR 0.4 0.69697
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XT8; Ligand: TMQ; Similar sites found with APoc: 236
This union binding pocket(no: 1) in the query (biounit: 4xt8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 3IA4 NDP None
3 3IA4 MTX None
4 4ZGM 32M None
5 3KPE TM3 None
6 2HPL ASP ASP LEU TYR GLY None
7 1LSS NAD None
8 5ZKC 3C0 1.16279
9 3OBT SLB 1.16279
10 5CQG 55C 1.55039
11 5AHO TLA 1.55039
12 3QP4 HL0 1.64835
13 1OMO NAD 1.93798
14 1DR1 NAP 2.1164
15 1DR1 HBI 2.1164
16 2BP1 FLC 2.22222
17 1ZY5 ANP 2.32558
18 2ZWI C5P 2.32558
19 1RJW ETF 2.32558
20 5JE8 NAD 2.32558
21 2YYY NAP 2.32558
22 2G5C NAD 2.32558
23 4XB2 NDP 2.32558
24 3HWW AKG 2.32558
25 1SBR VIB 2.5
26 3EEL 53T 2.64317
27 1N8V BDD 2.67857
28 1U72 MTX 2.68817
29 1U72 NDP 2.68817
30 5NM7 GLY 2.71318
31 3HQP FDP 2.71318
32 1Q19 SSC 2.71318
33 2D7I UDP 2.71318
34 1YKD CMP 2.71318
35 6GIN IR2 2.71318
36 4B2D FBP 2.71318
37 1SKQ GDP 2.71318
38 4EHU ANP 2.71318
39 5FPE 3TR 2.71318
40 2W41 ADP 2.71318
41 1T10 F6P 3.10078
42 5VKM GAL SIA 3.10078
43 2WH8 II2 3.10078
44 2VVT DGL 3.10078
45 6C4N NAP 3.10078
46 6CGN DA 3.10078
47 4EKQ NPO 3.20856
48 5HGZ MLA 3.29218
49 4IS0 1R4 3.3195
50 3L8H FX1 3.35196
51 5ZZ6 ADP 3.36538
52 1G8S MET 3.47826
53 1XX4 BAM 3.48837
54 5AJP UDP 3.48837
55 2FFU UDP 3.48837
56 3A16 PXO 3.48837
57 5HV7 RBL 3.48837
58 4I90 CHT 3.48837
59 5W7B MYR 3.5461
60 3HST MLR 3.5461
61 3B6O TMP 3.64372
62 1U70 MTX 3.76344
63 1U70 NDP 3.76344
64 5A4W QCT 3.77358
65 6ECU SAH 3.79747
66 1NXJ GLV 3.87597
67 3B1F NAD 3.87597
68 1CF2 NAP 3.87597
69 3G5N PB2 3.87597
70 3F10 8HG 3.87597
71 4BCQ TJF 3.87597
72 4BCM T7Z 3.87597
73 1SJD NPG 3.87597
74 2IZ1 ATR 3.87597
75 1H5R G1P 3.87597
76 4R74 F6P 3.87597
77 5J6C FMN 3.9801
78 4M7V NAP 4
79 4M7V RAR 4
80 2HMT NAI 4.16667
81 4ELG 52I 4.21687
82 4ELG 52J 4.21687
83 3TW1 AHN 4.21941
84 1P31 EPU 4.26357
85 2IYA UDP 4.26357
86 2QV7 ADP 4.26357
87 2ACV UDP 4.26357
88 3A51 VDY 4.26357
89 1R6N 434 4.2654
90 2W9S NDP 4.34783
91 2W9S TOP 4.34783
92 4WH9 3M8 4.37158
93 3ITJ CIT 4.65116
94 5OJL TXP 4.65116
95 1O94 AMP 4.65116
96 5L95 AMP 4.65116
97 2GWH PCI 4.65116
98 3R7F CP 4.65116
99 1LVW TYD 4.65116
100 4KCT FDP 4.65116
101 1AOE NDP 4.6875
102 1AOE GW3 4.6875
103 1GZF NIR 4.73934
104 4KM2 ATR 5.02793
105 4KM2 TOP 5.02793
106 3LN9 FLC 5.03597
107 5E5U MLI 5.03876
108 1US5 GLU 5.03876
109 3BAZ NAP 5.03876
110 2VT3 ATP 5.11628
111 3N7S 3N7 5.20833
112 6D6L FY4 5.29412
113 5IM3 DTP 5.42636
114 5LX9 OLB 5.42636
115 2AF6 BRU 5.42636
116 4MOB ADP 5.42636
117 2OOR NAD 5.42636
118 2J0B UDP 5.42636
119 4JX1 CAH 5.42636
120 5M37 9SZ 5.65217
121 2CIG 1DG 5.66038
122 5M36 9SZ 5.67686
123 2IYF UDP 5.81395
124 4X1T UDP 5.81395
125 4DA5 0H7 5.81395
126 3SDV 911 5.81395
127 4RW3 DKA 5.81395
128 2VYN NAD 5.81395
129 2FZH DH1 5.82524
130 3RG9 NDP 5.83333
131 3RG9 WRA 5.83333
132 3P48 DUP 6.12245
133 4DP3 NDP 6.20155
134 1J3I NDP 6.20155
135 1J3I WRA 6.20155
136 4DP3 MMV 6.20155
137 5ZI9 FLC 6.20155
138 1ZPD CIT 6.20155
139 2XZ9 PYR 6.20155
140 2HK9 ATR 6.20155
141 3DZD ADP 6.20155
142 3ETG GTP 6.20155
143 3ETG GWD 6.20155
144 2WE5 ADP 6.20155
145 4IP7 FBP 6.20155
146 1GEG GLC 6.25
147 4KVL PLM 6.58915
148 3NHB ADP 6.58915
149 3VV5 SLZ 6.58915
150 1W0J ADP BEF 6.58915
151 3KP6 SAL 6.62252
152 1Q5H DUD 6.80272
153 3KJS NAP 6.97674
154 3KJS DQ1 6.97674
155 1DEK DGP 7.05394
156 3NRR NAP 7.36434
157 3NRR D16 7.36434
158 1ZED PNP 7.36434
159 3HP9 CF1 7.36434
160 5OLK DTP 7.36434
161 2VDY HCY 7.36434
162 5A7Y SAH 7.36434
163 4D3F NAP 7.36434
164 4F06 PHB 7.75194
165 5W6Y TRP 7.75194
166 5ZBL AMP 7.88177
167 3DFR NDP 8.02469
168 3DFR MTX 8.02469
169 4DXJ 0M9 8.13953
170 1WP4 NDP 8.13953
171 5WYF ILP 8.13953
172 1ISI NCA 8.13953
173 3QP8 HL0 8.15217
174 5UGW GSH 8.57143
175 3ZIA ADP 8.69565
176 3SHR CMP 8.69565
177 3IX9 NDP 8.94737
178 3IX9 MTX 8.94737
179 4LAE 1VM 8.98204
180 4LAE NAP 8.98204
181 4EIL FOL 9.30233
182 4EIL NDP 9.30233
183 1P77 ATR 9.30233
184 3EXH TPP 9.30233
185 2DRC MTX 9.43396
186 4EJ1 FOL 9.43396
187 2Y69 CHD 9.52381
188 4B4U NAP 9.57096
189 4YSX E23 9.57447
190 2BL9 NDP 9.66387
191 2BL9 CP6 9.66387
192 5AJU RP5 9.68992
193 5FJJ MAN 9.68992
194 4DNJ ANN 9.68992
195 3B5J 12D 9.87654
196 2FR1 NDP 10.0775
197 1BYG STU 10.0775
198 4OR7 NAP 10.303
199 4OR7 25U 10.303
200 1JAY F42 10.4651
201 2DC1 CIT 10.5932
202 2HZL PYR 10.8527
203 2F1K NAP 10.8527
204 1JUV NDP 10.8808
205 4DS8 A8S 11.0048
206 1T5C ADP 11.2403
207 4HE2 AMP 11.2403
208 4Q86 AMP 11.4334
209 3CYI ATP 11.8182
210 3HY2 ATP 11.8182
211 4URX FK1 11.8919
212 3B8I OXL 12.0155
213 5Z84 CHD 12.2449
214 5ZCO CHD 12.2449
215 5W97 CHD 12.2449
216 4Z87 GDP 12.4031
217 3KC1 2T6 12.7907
218 6D5H FV7 13.1737
219 6D59 FVJ 13.1737
220 6D56 FVM 13.1737
221 6D5G FVD 13.1737
222 6D55 FWA 13.1737
223 6BVM EBV 13.1737
224 6BVK EAV 13.1737
225 6D5V FVY 13.1737
226 6F5W KG1 13.1783
227 5YZ2 AMP 13.1944
228 3F8C HT1 14.2857
229 3WFD AXO 15.0685
230 1T0S BML 15.1163
231 1D1G NDP 15.4762
232 1D1G MTX 15.4762
233 4UCC ZKW 17.1674
234 1VKF CIT 17.5532
235 4OGQ 7PH 20.5882
236 4HA9 NDP 26.506
Pocket No.: 2; Query (leader) PDB : 4XT8; Ligand: TMQ; 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: 4xt8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XT8; Ligand: NAP; Similar sites found with APoc: 198
This union binding pocket(no: 3) in the query (biounit: 4xt8.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 3IA4 NDP None
2 3KPE TM3 None
3 3IA4 MTX None
4 1LSS NAD None
5 3FIU AMP 1.20482
6 4DOO DAO 1.46341
7 5AHO TLA 1.55039
8 1OMO NAD 1.93798
9 4WNP 3RJ 1.93798
10 2VDV SAM 2.03252
11 1DR1 NAP 2.1164
12 1DR1 HBI 2.1164
13 1FWV SGA MAG FUC 2.23881
14 2ZWI C5P 2.32558
15 1RJW ETF 2.32558
16 2YYY NAP 2.32558
17 2G5C NAD 2.32558
18 4XB2 NDP 2.32558
19 5JE8 NAD 2.32558
20 3HWW AKG 2.32558
21 1SBR VIB 2.5
22 3EEL 53T 2.64317
23 1U72 NDP 2.68817
24 1U72 MTX 2.68817
25 5NM7 GLY 2.71318
26 3HQP FDP 2.71318
27 1Q19 SSC 2.71318
28 2D7I UDP 2.71318
29 4B2D FBP 2.71318
30 3HQP OXL 2.71318
31 6HKE MLT 2.71318
32 4EHU ANP 2.71318
33 5FPE 3TR 2.71318
34 3HQP ATP 2.71318
35 2W41 ADP 2.71318
36 6BSX E7S 2.80899
37 3O94 NCA 2.8436
38 1T10 F6P 3.10078
39 5VKM GAL SIA 3.10078
40 2VVT DGL 3.10078
41 6C4N NAP 3.10078
42 4EKQ NPO 3.20856
43 5HGZ MLA 3.29218
44 3L8H FX1 3.35196
45 1VBO MAN MAN MAN 3.3557
46 5ZZ6 ADP 3.36538
47 5ZZ6 NAD 3.36538
48 2HJR CIT 3.48837
49 2FFU UDP 3.48837
50 5HV7 RBL 3.48837
51 5VCM UDP 3.48837
52 5W7B MYR 3.5461
53 3B6O TMP 3.64372
54 1U70 MTX 3.76344
55 1U70 NDP 3.76344
56 6ECU SAH 3.79747
57 3B1F NAD 3.87597
58 1CF2 NAP 3.87597
59 4BCQ TJF 3.87597
60 3G5N PB2 3.87597
61 2XT3 ADP 3.87597
62 4BCM T7Z 3.87597
63 1SJD NPG 3.87597
64 2IZ1 ATR 3.87597
65 1H5R G1P 3.87597
66 4M7V NAP 4
67 4M7V RAR 4
68 2HMT NAI 4.16667
69 4ELG 52I 4.21687
70 4ELG 52J 4.21687
71 3TW1 AHN 4.21941
72 1P31 EPU 4.26357
73 2IYA UDP 4.26357
74 2QV7 ADP 4.26357
75 2ACV UDP 4.26357
76 4JBI NDP 4.26357
77 2W9S NDP 4.34783
78 2W9S TOP 4.34783
79 1NFS DED 4.37158
80 5ARK UMP 4.47761
81 5CIC 51R 4.62963
82 3ITJ CIT 4.65116
83 4I5I 4I5 4.65116
84 5OJL TXP 4.65116
85 5L95 AMP 4.65116
86 4KCT FDP 4.65116
87 1AOE GW3 4.6875
88 1AOE NDP 4.6875
89 1GZF NIR 4.73934
90 4KM2 ATR 5.02793
91 4KM2 TOP 5.02793
92 3LN9 FLC 5.03597
93 5E5U MLI 5.03876
94 3BAZ NAP 5.03876
95 2QPU QPS 5.03876
96 2QPU QPU 5.03876
97 2VT3 ATP 5.11628
98 6E48 4OA 5.30973
99 3CM2 X23 5.38462
100 2AF6 BRU 5.42636
101 4MOB ADP 5.42636
102 2OOR NAD 5.42636
103 2J0B UDP 5.42636
104 4JX1 CAH 5.42636
105 5OBU ANP 5.42636
106 6A46 DCM 5.46875
107 2CIG 1DG 5.66038
108 2IYF UDP 5.81395
109 4X1T UDP 5.81395
110 4E13 NAD 5.81395
111 4RW3 DKA 5.81395
112 2FZH DH1 5.82524
113 3RG9 NDP 5.83333
114 3RG9 WRA 5.83333
115 1TL2 NDG 5.9322
116 4DP3 NDP 6.20155
117 1J3I NDP 6.20155
118 1J3I WRA 6.20155
119 4DP3 MMV 6.20155
120 5ZI9 FLC 6.20155
121 2XZ9 PYR 6.20155
122 3DZD ADP 6.20155
123 1HYH NAD 6.20155
124 2HK9 ATR 6.20155
125 2WE5 ADP 6.20155
126 4IP7 FBP 6.20155
127 1RV0 NDG 6.25
128 4KVL PLM 6.58915
129 2V7Q ADP 6.58915
130 3NHB ADP 6.58915
131 5T52 NGA 6.58915
132 3VV5 SLZ 6.58915
133 3HRD NIO 6.58915
134 2ZSH GA3 6.58915
135 1Q5H DUD 6.80272
136 3I53 SAH 6.92771
137 3KJS NAP 6.97674
138 3KJS DQ1 6.97674
139 1OKE BOG 6.97674
140 2IDO TMP 6.98925
141 1DEK DGP 7.05394
142 3NRR NAP 7.36434
143 3NRR D16 7.36434
144 4D3F NAP 7.36434
145 1KC7 PPR 7.75194
146 5W6Y TRP 7.75194
147 5ZBL AMP 7.88177
148 3DFR NDP 8.02469
149 3DFR MTX 8.02469
150 4CVN ADP 8.0292
151 1WP4 NDP 8.13953
152 5WYF ILP 8.13953
153 3ZIA ADP 8.69565
154 3SHR CMP 8.69565
155 3IX9 NDP 8.94737
156 3IX9 MTX 8.94737
157 4LAE 1VM 8.98204
158 4LAE NAP 8.98204
159 4Z4P SAH 9.03614
160 4EIL NDP 9.30233
161 4EIL FOL 9.30233
162 3EXH TPP 9.30233
163 2DRC MTX 9.43396
164 4EJ1 FOL 9.43396
165 3BOS CDP 9.50413
166 4B4U NAP 9.57096
167 2BL9 NDP 9.66387
168 2BL9 CP6 9.66387
169 5AJU RP5 9.68992
170 5FJJ MAN 9.68992
171 4DNJ ANN 9.68992
172 3B5J 12D 9.87654
173 1Q8A HCS 10.0775
174 1BYG STU 10.0775
175 4OR7 NAP 10.303
176 4OR7 25U 10.303
177 1JAY F42 10.4651
178 2DC1 CIT 10.5932
179 2HZL PYR 10.8527
180 2F1K NAP 10.8527
181 1JUV NDP 10.8808
182 1T5C ADP 11.2403
183 4HE2 AMP 11.2403
184 3HY2 ATP 11.8182
185 3B8I OXL 12.0155
186 6C0B PAM 12.4031
187 3W9F I3P 12.6923
188 3KC1 2T6 12.7907
189 6F5W KG1 13.1783
190 5YZ2 AMP 13.1944
191 3WFD AXO 15.0685
192 5G3L SIA 15.1515
193 3W6X HZP 15.2838
194 1D1G NDP 15.4762
195 1D1G MTX 15.4762
196 5C9P FUC 16.6667
197 1VKF CIT 17.5532
198 4HA9 NDP 26.506
Pocket No.: 4; Query (leader) PDB : 4XT8; 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: 4xt8.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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