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Receptor
PDB id Resolution Class Description Source Keywords
4DPH 2.38 Å EC: 1.5.1.3 QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPAR DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COW ITH P65 AND NADPH PLASMODIUM FALCIPARUM PLASMODIUM FALCIPARUM ANTIFOLATE ROSSMANN FOLD REDUCTASEBINDING OXIDOREDUCTASE TRANSFERASE
Ref.: MALARIAL DIHYDROFOLATE REDUCTASE AS A PARADIGM FOR DEVELOPMENT AGAINST A RESISTANCE-COMPROMISED TARGET PROC.NATL.ACAD.SCI.USA V. 109 16823 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:704;
A:705;
A:706;
B:704;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
NDP A:702;
B:702;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
P65 A:701;
B:701;
Valid;
Valid;
none;
none;
Ki = 5.59 nM
377.654 C14 H15 Cl3 N4 O2 Cc1c(...
PO4 A:703;
B:703;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DP3 2.4 Å EC: 1.5.1.3 QUADRUPLE MUTANT (N51I+C59R+S108N+I164L) PLASMODIUM FALCIPAR DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PFDHFR-TS) COW ITH P218 AND NADPH PLASMODIUM FALCIPARUM ROSSMANN FOLD REDUCTASE OXIDOREDUCTASE TRANSFERASE-INHIBICOMPLEX
Ref.: MALARIAL DIHYDROFOLATE REDUCTASE AS A PARADIGM FOR DEVELOPMENT AGAINST A RESISTANCE-COMPROMISED TARGET PROC.NATL.ACAD.SCI.USA V. 109 16823 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3QG2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4DP3 Ki = 0.54 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
3 3QGT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 4DPD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3UM5 Ki = 0.6 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
6 4DPH Ki = 5.59 nM P65 C14 H15 Cl3 N4 O2 Cc1c(c(nc(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3QG2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4DP3 Ki = 0.54 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
3 3QGT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 4DPD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3UM5 Ki = 0.6 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
6 4DPH Ki = 5.59 nM P65 C14 H15 Cl3 N4 O2 Cc1c(c(nc(....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3QG2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4DP3 Ki = 0.54 nM MMV C18 H24 N4 O4 CCc1c(c(nc....
3 3QGT - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
4 4DPD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 3UM5 Ki = 0.6 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
6 4DPH Ki = 5.59 nM P65 C14 H15 Cl3 N4 O2 Cc1c(c(nc(....
7 4EIL - UMP C9 H13 N2 O8 P C1[C@@H]([....
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
Ligand no: 2; Ligand: P65; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P65 1 1
2 WRA 0.402597 0.73913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DP3; Ligand: NDP; Similar sites found with APoc: 196
This union binding pocket(no: 1) in the query (biounit: 4dp3.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYG FMN None
2 5CX6 CDP 1.31579
3 1PL6 NAD 1.40449
4 5WS9 ATP 1.47368
5 1SKQ GDP 1.6092
6 1PIG BGC 1.6129
7 3GCM 5GP 1.63934
8 2ACV UDP 1.72786
9 3BAZ NAP 1.8018
10 5WPJ NDP 1.87793
11 2IYF UDP 1.92771
12 6MFL OPV 1.94805
13 2IO8 CYS 1.97368
14 3TDC 0EU 1.97368
15 1T10 F6P 1.98347
16 5HV7 RBL 2.06422
17 3KC1 2T6 2.07715
18 4G86 BNT 2.11268
19 2IYA UDP 2.12264
20 3BD9 A3P 2.14286
21 3HBF UDP 2.20264
22 4ONQ SFG 2.2409
23 5LVP ATP 2.2508
24 5T96 79J 2.33918
25 4B5W PYR 2.34375
26 4MGA 27L 2.35294
27 5C9P FUC 2.3622
28 3ITJ CIT 2.36686
29 2Q8M AMP 2.40964
30 2ZJ5 ADP 2.46711
31 4C2W ANP 2.50896
32 2FT0 ACO 2.55319
33 1KJ8 GAR 2.55754
34 4KVL PLM 2.57649
35 3KYF 5GP 5GP 2.5974
36 4WBD CIT 2.63158
37 5EY0 GTP 2.63158
38 2W5P CL8 2.68456
39 2DPY ADP 2.73973
40 2EFX NFA 2.75482
41 2YAB AMP 2.77008
42 1UAY ADN 2.96053
43 5AHO TLA 2.97619
44 2BHZ MAL 2.99003
45 3M2W L8I 3.01003
46 2HZL PYR 3.0137
47 4DDY DN6 3.04183
48 3ALN ANP 3.0581
49 5N53 8NB 3.07692
50 3KCC CMP 3.07692
51 4K33 ACP 3.07692
52 4WOV 3SM 3.15457
53 4X1T UDP 3.18627
54 2RDE C2E 3.18725
55 2VZ6 FEF 3.19489
56 5M90 JIF 3.23276
57 3VYW SAM 3.24675
58 1NLM UD1 3.2967
59 2HVK TBA 3.30189
60 2CE7 ADP 3.36134
61 3HWW AKG 3.41727
62 1U5R ATP 3.44828
63 1TO9 HMH 3.46154
64 1VKJ A3P 3.50877
65 2IYL GDP 3.52113
66 1Z4O GL1 3.61991
67 3Q3H UDP 3.78289
68 5WKC TP9 3.78289
69 1I36 NAP 3.78788
70 2VOH CIT 3.82166
71 2X2M X2M 3.82166
72 1RJW ETF 3.83481
73 4HE2 AMP 3.84615
74 4OUC 5ID 3.92157
75 2X1E X1E 3.92157
76 2J0B UDP 3.92857
77 2F2U M77 3.9801
78 5KBF CMP 3.98671
79 3GFS FMN 4.02299
80 2NUN ADP 4.02477
81 1ZDU P3A 4.08163
82 4YJ1 ADP 4.11184
83 1TZJ A3B 4.14201
84 5YRG BGC GLC 4.22535
85 4R2I ANP 4.28571
86 1MVN FMN 4.30622
87 1K3A ACP 4.34783
88 6FOG OXL 4.46429
89 4PU6 ASP 4.56853
90 2A19 ANP 4.57746
91 2QHS OCA 4.64135
92 3CV3 UDP 4.6798
93 3B6C SDN 4.70085
94 3KN5 ANP 4.76974
95 2PLK P3D 4.77327
96 5YEE LAB 4.77454
97 4B1X LAB 4.78723
98 5URY PAM 4.79452
99 5ZZA LAB 4.82574
100 4WZ6 ATP 4.82759
101 4NTO 1PW 4.83092
102 4PPF FLC 4.85714
103 4WGF HX2 4.87805
104 3AQT RCO 4.89796
105 5CEO 50D 5
106 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
107 6G33 5ID 5.30973
108 3WQM B29 5.31561
109 5ZBL AMP 5.41872
110 4A59 AMP 5.42763
111 1T5C ADP 5.44413
112 2W58 ADP 5.44554
113 3KVY URA 5.50162
114 3QDY A2G GAL 5.59441
115 3QDX A2G GAL 5.59441
116 3QDT A2G GAL 5.59441
117 2QV7 ADP 5.63798
118 2FFU UDP 5.78842
119 2BO4 FLC 5.79345
120 1NF8 BOG 5.7971
121 2PZE ATP 6.11354
122 4XT8 TMQ 6.20155
123 4XT8 NAP 6.20155
124 1XXR MAN 6.21118
125 2AWN ADP 6.29921
126 5LMK 6ZK 6.39731
127 5B0I BOG 6.41399
128 1PFK ADP 6.5625
129 2ZR9 DTP 6.59026
130 4O48 ASP 6.62651
131 2P3V SRT 6.64062
132 2BS5 BGC GAL FUC 6.66667
133 2CBZ ATP 6.75105
134 2J5V PCA 6.81199
135 5E5U MLI 6.81818
136 5L8L ADP 6.83761
137 3ZIA ADP 6.90789
138 1W55 GPP 7.00809
139 4LRJ ANP 7.10059
140 3T64 DU3 7.18232
141 2PEL LBT 7.20339
142 2PEL LAT 7.20339
143 4UCC ZKW 7.29614
144 4HSE ADP 7.40132
145 4YDS ATP 7.45614
146 3NOJ PYR 7.56302
147 43CA NPO 7.69231
148 5L3S G 7.77027
149 4NST ADP 7.83582
150 5G1X ADP 7.93651
151 3TW1 AHN 8.01688
152 4GAH 0ET 8.13397
153 3K5I AIR 8.18859
154 3SHR CMP 8.69565
155 1YRB GDP 8.77863
156 1EB9 HBA 8.77863
157 5FQK 6NT 8.92193
158 1NJJ ORX 8.94118
159 1XP8 AGS 9.01639
160 5T46 MGP 9.09091
161 5NM7 GLY 9.3985
162 1XX6 ADP 9.42408
163 5F6U 5VK 9.55414
164 2D2F ADP 9.6
165 1MT1 AG2 9.61539
166 4RT1 C2E 9.82143
167 1FWV SGA MAG FUC 10.4478
168 3GC8 B45 10.8108
169 3SRV S19 10.8303
170 4HA9 NDP 10.8434
171 4F9C 0SX 11.1111
172 5ZI9 FLC 11.1538
173 1B4B ARG 11.2676
174 4NTX AMR 11.7647
175 4UTW RFW 12.2271
176 3ZRM ZRM 12.5
177 5A96 GTP 12.8514
178 6CB2 OLC 12.9693
179 5AJU RP5 13.1387
180 5LXM ADP 13.1579
181 2UZH IPE 13.3333
182 5Y4R C2E 14.2857
183 1M2Z BOG 14.2857
184 3RET PYR 14.8515
185 3RET SAL 14.8515
186 5XLY C2E 14.9466
187 1HBK MYR 16.8539
188 1HBK COA 16.8539
189 5YRJ BGC GLC 16.9014
190 3KPE TM3 17.9487
191 5AJP UDP 23.5294
192 4RJD TFP 31.8182
193 5DXV NAP 32.0513
194 3NRR D16 43.6893
195 3NRR NAP 43.6893
196 2FKA BEF 46.6667
Pocket No.: 2; Query (leader) PDB : 4DP3; Ligand: NDP; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 4dp3.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 1D8C GLV 1.31579
2 1P7T PYR 1.31579
3 1YQT ADP 1.48699
4 5YV5 ADP 1.49254
5 6BK3 UDP 1.71306
6 1D2E GDP 1.76322
7 3CV2 COA 1.8797
8 4XFR CIT 2.10773
9 3ZUY TCH 2.16718
10 4ZH7 FUC GAL NAG GAL FUC 2.20994
11 5OVK NDP 2.34375
12 4U00 ADP 2.45902
13 1WD4 AHR 2.6971
14 2ZE7 AMP 2.7668
15 6F5W KG1 2.98103
16 2NTK IMP 3.15315
17 2CFC KPC 3.2
18 3NHB ADP 3.26797
19 3B5J 12D 3.29218
20 5HWK BEZ 3.33333
21 1YZG GDP 3.35196
22 5W75 GDP 3.45395
23 5GOE GDP 3.5545
24 1ZGA HMK 3.64146
25 5Y0T TAT 3.78289
26 4NZF ARB 3.79464
27 5MOB A8S 3.87931
28 1TKU 5RP 3.92157
29 6FLZ MMA 4.16667
30 4JCA CIT 4.19162
31 4BWL MN9 4.27632
32 1Q19 SSC 4.37376
33 3EWA ANP 4.65839
34 2H8H H8H 4.85981
35 1C3X 8IG 4.88722
36 4BGB ADP 5.23077
37 1EJH M7G 5.26316
38 4F8L GAL 5.51724
39 4CQM NAP 5.7377
40 1WZ1 DNS 6.19469
41 3FHR P4O 6.25
42 4RDH AMP 6.25
43 3O61 GDD 6.28272
44 6G14 G4P 6.80272
45 5HRA DAS 6.80851
46 3ZF8 GDP 6.88525
47 4WNP 3RJ 7.31707
48 1G6H ADP 7.393
49 2OBM ADP 7.4928
50 5FBF DCM 7.86517
51 1ZJ6 G3D 8.02139
52 2CB8 MYA 8.04598
53 1VBO MAN MAN MAN 9.39597
54 2IVD ACJ 9.83264
55 1JAY F42 10.3774
56 2HJR CIT 11.8902
57 4IF4 BEF 13.9423
58 5ZCO CHD 15.2941
59 5FII PHE 15.6863
60 5YRM BGC GLC 16.9014
Pocket No.: 3; Query (leader) PDB : 4DP3; Ligand: MMV; Similar sites found with APoc: 191
This union binding pocket(no: 3) in the query (biounit: 4dp3.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 2IYG FMN None
2 1YRX FMN None
3 5CX6 CDP 1.31579
4 1PL6 NAD 1.40449
5 1SKQ GDP 1.6092
6 1PIG BGC 1.6129
7 3GCM 5GP 1.63934
8 2ACV UDP 1.72786
9 5WPJ NDP 1.87793
10 2IYF UDP 1.92771
11 2IO8 CYS 1.97368
12 5HV7 RBL 2.06422
13 3KC1 2T6 2.07715
14 4XFR CIT 2.10773
15 4G86 BNT 2.11268
16 2IYA UDP 2.12264
17 3BD9 A3P 2.14286
18 3HBF UDP 2.20264
19 4ONQ SFG 2.2409
20 5T96 79J 2.33918
21 4B5W PYR 2.34375
22 4MGA 27L 2.35294
23 5C9P FUC 2.3622
24 3ITJ CIT 2.36686
25 2Q8M AMP 2.40964
26 4U00 ADP 2.45902
27 2ZJ5 ADP 2.46711
28 4C2W ANP 2.50896
29 4KVL PLM 2.57649
30 3KYF 5GP 5GP 2.5974
31 4WBD CIT 2.63158
32 2W5P CL8 2.68456
33 2DPY ADP 2.73973
34 1S7N COA 2.74725
35 2EFX NFA 2.75482
36 2YAB AMP 2.77008
37 2RH1 CLR 2.8
38 5KJW 53C 2.8103
39 4AF0 IMP 2.96053
40 5AHO TLA 2.97619
41 2BHZ MAL 2.99003
42 3M2W L8I 3.01003
43 4DDY DN6 3.04183
44 1J78 OLA 3.05677
45 3ALN ANP 3.0581
46 5N53 8NB 3.07692
47 3KCC CMP 3.07692
48 4WOV 3SM 3.15457
49 4X1T UDP 3.18627
50 2RDE C2E 3.18725
51 2VZ6 FEF 3.19489
52 5M90 JIF 3.23276
53 1NLM UD1 3.2967
54 2HVK TBA 3.30189
55 1PVC ILE SER GLU VAL 3.32103
56 2CE7 ADP 3.36134
57 3HWW AKG 3.41727
58 1U5R ATP 3.44828
59 3U7Q HCA 3.45528
60 1VKJ A3P 3.50877
61 2IYL GDP 3.52113
62 5K21 6QF 3.5461
63 1Z4O GL1 3.61991
64 3Q3H UDP 3.78289
65 5WKC TP9 3.78289
66 1I36 NAP 3.78788
67 2VOH CIT 3.82166
68 2X2M X2M 3.82166
69 1RJW ETF 3.83481
70 4HE2 AMP 3.84615
71 5MOB A8S 3.87931
72 4OUC 5ID 3.92157
73 2X1E X1E 3.92157
74 2J0B UDP 3.92857
75 1QH8 HCA 3.9749
76 2F2U M77 3.9801
77 5KBF CMP 3.98671
78 2NUN ADP 4.02477
79 1ZDU P3A 4.08163
80 1TZJ A3B 4.14201
81 5YRG BGC GLC 4.22535
82 4R2I ANP 4.28571
83 1MVN FMN 4.30622
84 1K3A ACP 4.34783
85 1RDL MMA 4.42478
86 4IDT T28 4.49438
87 4PU6 ASP 4.56853
88 2A19 ANP 4.57746
89 2QHS OCA 4.64135
90 3CV3 UDP 4.6798
91 3B6C SDN 4.70085
92 1R6N 434 4.73934
93 3KN5 ANP 4.76974
94 2PLK P3D 4.77327
95 5URY PAM 4.79452
96 4NTO 1PW 4.83092
97 4PPF FLC 4.85714
98 5CEO 50D 5
99 2W97 MGO 5.06912
100 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
101 6G33 5ID 5.30973
102 3WQM B29 5.31561
103 1M21 PHE CSI LEU PHA 5.36779
104 5ZBL AMP 5.41872
105 4A59 AMP 5.42763
106 2W58 ADP 5.44554
107 3P7G MAN 5.47945
108 3KVY URA 5.50162
109 3QDY A2G GAL 5.59441
110 3QDX A2G GAL 5.59441
111 3QDT A2G GAL 5.59441
112 2QV7 ADP 5.63798
113 2FFU UDP 5.78842
114 2BO4 FLC 5.79345
115 2PZE ATP 6.11354
116 4XT8 TMQ 6.20155
117 4XT8 NAP 6.20155
118 1XXR MAN 6.21118
119 2AWN ADP 6.29921
120 5LMK 6ZK 6.39731
121 5B0I BOG 6.41399
122 1PFK ADP 6.5625
123 2P3V SRT 6.64062
124 2BS5 BGC GAL FUC 6.66667
125 2CBZ ATP 6.75105
126 1MJH ATP 6.79012
127 2J5V PCA 6.81199
128 5E5U MLI 6.81818
129 3ZIA ADP 6.90789
130 3N7S 3N7 6.95652
131 1W55 GPP 7.00809
132 3T64 DU3 7.18232
133 2PEL LBT 7.20339
134 2PEL LAT 7.20339
135 4UCC ZKW 7.29614
136 4HSE ADP 7.40132
137 2OBM ADP 7.4928
138 3NOJ PYR 7.56302
139 5G6U YJM 7.66284
140 5C8W PCG 7.69231
141 43CA NPO 7.69231
142 3ACT BGC 7.73026
143 5L3S G 7.77027
144 5EFQ ADP 7.83582
145 5G1X ADP 7.93651
146 3KP6 SAL 7.94702
147 3K5I AIR 8.18859
148 5F06 GSH 8.33333
149 3SHR CMP 8.69565
150 1YRB GDP 8.77863
151 3NJQ NJQ 8.80829
152 1NJJ ORX 8.94118
153 1WDI CIT 9.27536
154 5NM7 GLY 9.3985
155 1XX6 ADP 9.42408
156 2D2F ADP 9.6
157 4RT1 C2E 9.82143
158 5WHU SIA GAL GLC 10.0671
159 1FWV SGA MAG FUC 10.4478
160 5NNT DPV 10.8108
161 3SRV S19 10.8303
162 4HA9 NDP 10.8434
163 4F9C 0SX 11.1111
164 5ZI9 FLC 11.1538
165 1B4B ARG 11.2676
166 4NTX AMR 11.7647
167 4UTW RFW 12.2271
168 3ZRM ZRM 12.5
169 5A96 GTP 12.8514
170 5AJU RP5 13.1387
171 5LXM ADP 13.1579
172 2UZH IPE 13.3333
173 5Y4R C2E 14.2857
174 3QP8 HL0 14.6739
175 3RET SAL 14.8515
176 3RET PYR 14.8515
177 5XLY C2E 14.9466
178 2Y69 CHD 15.1163
179 5W97 CHD 15.2941
180 3K56 IS3 15.4135
181 5LWY OLB 16.8224
182 1HBK COA 16.8539
183 1HBK MYR 16.8539
184 5YRJ BGC GLC 16.9014
185 3KPE TM3 17.9487
186 5AJP UDP 23.5294
187 4RJD TFP 31.8182
188 5DXV NAP 32.0513
189 3NRR D16 43.6893
190 3NRR NAP 43.6893
191 2FKA BEF 46.6667
Pocket No.: 4; Query (leader) PDB : 4DP3; Ligand: MMV; Similar sites found with APoc: 62
This union binding pocket(no: 4) in the query (biounit: 4dp3.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 3H2K BOG 1.00756
2 1D8C GLV 1.31579
3 1P7T PYR 1.31579
4 1YQT ADP 1.48699
5 5YV5 ADP 1.49254
6 1LVW TYD 1.69492
7 6BK3 UDP 1.71306
8 1D2E GDP 1.76322
9 3CV2 COA 1.8797
10 3ZUY TCH 2.16718
11 4ZH7 FUC GAL NAG GAL FUC 2.20994
12 5LVP ATP 2.2508
13 5OVK NDP 2.34375
14 2HHP FLC 2.64151
15 1WD4 AHR 2.6971
16 2ZE7 AMP 2.7668
17 6F5W KG1 2.98103
18 2HZL PYR 3.0137
19 2YVK MRU 3.125
20 2NTK IMP 3.15315
21 2CFC KPC 3.2
22 2VGD XYP XYP XYP FX3 3.21101
23 4IA6 EIC 3.21489
24 3NHB ADP 3.26797
25 3B5J 12D 3.29218
26 5HWK BEZ 3.33333
27 5W75 GDP 3.45395
28 5GOE GDP 3.5545
29 1ZGA HMK 3.64146
30 5Y0T TAT 3.78289
31 1TKU 5RP 3.92157
32 3GFS FMN 4.02299
33 4JCA CIT 4.19162
34 1Q19 SSC 4.37376
35 6FOG OXL 4.46429
36 5YXC CIT 4.62963
37 4RW3 SHV 4.63576
38 3EWA ANP 4.65839
39 4WZ6 ATP 4.82759
40 2H8H H8H 4.85981
41 1C3X 8IG 4.88722
42 3MN5 LAB 5.01393
43 4BGB ADP 5.23077
44 4F8L GAL 5.51724
45 1WZ1 DNS 6.19469
46 4RDH AMP 6.25
47 3O61 GDD 6.28272
48 2ZR9 DTP 6.59026
49 6G14 G4P 6.80272
50 3ZF8 GDP 6.88525
51 4WNP 3RJ 7.31707
52 5FBF DCM 7.86517
53 4GAH 0ET 8.13397
54 1VBO MAN MAN MAN 9.39597
55 2IVD ACJ 9.83264
56 1JAY F42 10.3774
57 3GC8 B45 10.8108
58 2CK3 ANP 12
59 4IF4 BEF 13.9423
60 5Z84 CHD 15.2941
61 5YRM BGC GLC 16.9014
62 1NU4 MLA 27.8351
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