Receptor
PDB id Resolution Class Description Source Keywords
3RG9 2 Å EC: 1.5.1.3 TRYPANOSOMA BRUCEI DIHYDROFOLATE REDUCTASE (TBDHFR) IN COMPL WR99210 TRYPANOSOMA BRUCEI RHODESIENSE TRYPANOSOMA BRUCEI OXIDOREDUCTASE DIHYDROFOLATE REDUCTASEOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: TRYPANOSOMAL DIHYDROFOLATE REDUCTASE REVEALS NATURA ANTIFOLATE RESISTANCE ACS CHEM.BIOL. V. 6 905 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:601;
B:701;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
WRA A:602;
B:702;
Valid;
Valid;
none;
none;
Ki = 1.1 nM
394.684 C14 H18 Cl3 N5 O2 CC1(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RG9 2 Å EC: 1.5.1.3 TRYPANOSOMA BRUCEI DIHYDROFOLATE REDUCTASE (TBDHFR) IN COMPL WR99210 TRYPANOSOMA BRUCEI RHODESIENSE TRYPANOSOMA BRUCEI OXIDOREDUCTASE DIHYDROFOLATE REDUCTASEOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: TRYPANOSOMAL DIHYDROFOLATE REDUCTASE REVEALS NATURA ANTIFOLATE RESISTANCE ACS CHEM.BIOL. V. 6 905 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3RG9 Ki = 1.1 nM WRA C14 H18 Cl3 N5 O2 CC1(N=C(N=....
2 3QFX Ki = 24.2 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3RG9 Ki = 1.1 nM WRA C14 H18 Cl3 N5 O2 CC1(N=C(N=....
2 3QFX Ki = 24.2 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3RG9 Ki = 1.1 nM WRA C14 H18 Cl3 N5 O2 CC1(N=C(N=....
2 3QFX Ki = 24.2 nM CP6 C12 H13 Cl N4 CCc1c(c(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
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 DG1 0.68 1
8 1DG 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 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Ligand no: 2; Ligand: WRA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 WRA 1 1
2 WRB 0.57971 0.955224
3 P65 0.402597 0.73913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RG9; Ligand: WRA; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 3rg9.bio2) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KYF 5GP 5GP 0.003486 0.45989 None
2 2FKA BEF 0.01354 0.42315 None
3 3KO0 TFP 0.0331 0.41931 None
4 5CHR 4NC 0.04726 0.40949 None
5 5LJB RTL 0.01426 0.40753 0.740741
6 3B5J 12D 0.04146 0.41124 1.25
7 1XPJ TLA 0.0175 0.41878 1.5873
8 1V0O INR 0.01896 0.40474 1.66667
9 3FHR P4O 0.003898 0.43682 2.08333
10 5F7J ADE 0.01822 0.43277 2.08333
11 4UP4 NDG 0.02733 0.41191 2.08333
12 3MBC NAP 0.03018 0.4102 2.08333
13 4WOV 3SM 0.03169 0.40646 2.08333
14 1NJJ ORX 0.01387 0.4052 2.08333
15 5C03 AGS 0.02306 0.4037 2.08333
16 4HA9 NDP 0.0000001114 0.47729 2.5
17 5AHO TLA 0.006563 0.46078 2.5
18 3ITJ CIT 0.02173 0.42866 2.5
19 3PA8 621 0.03042 0.41868 2.5
20 2F2U M77 0.02221 0.41807 2.5
21 1GOJ ADP 0.03845 0.41483 2.5
22 2AZ5 307 0.02188 0.40479 2.7027
23 5DH3 5BS 0.004513 0.4304 2.91667
24 5EFQ ADP 0.0231 0.40366 2.91667
25 3BAZ NAP 0.008987 0.40268 2.91667
26 5JZJ AN2 0.02509 0.40194 2.91667
27 3NOJ PYR 0.03838 0.41627 2.94118
28 3B6C SDN 0.03099 0.41823 2.99145
29 4UCC ZKW 0.0263 0.40983 3.00429
30 5NBW 8SK 0.03073 0.40715 3.15315
31 2VOH CIT 0.02867 0.42039 3.18471
32 2GUE NAG 0.03194 0.40307 3.27869
33 1T10 F6P 0.01753 0.43431 3.33333
34 4PPF FLC 0.03307 0.42784 3.33333
35 4IEE AGS 0.04338 0.40634 3.33333
36 2ZV2 609 0.041 0.40408 3.33333
37 5MOB A8S 0.04704 0.40092 3.44828
38 4QAR ADE 0.02595 0.40751 3.48259
39 1T9D P22 0.01026 0.44457 3.75
40 5FJJ MAN 0.02039 0.42986 3.75
41 4Z94 ATP 0.02317 0.4036 3.75
42 4B1X ATP 0.01575 0.40271 3.75
43 2WQN ADP 0.03848 0.40213 3.75
44 5FUI APY 0.01762 0.41545 3.78788
45 3KYG 5GP 5GP 0.004258 0.44252 3.96476
46 5K8S CMP 0.0243 0.40261 4.05405
47 1YBH P22 0.01347 0.4294 4.16667
48 1Z03 OCH 0.03078 0.4184 4.16667
49 5HTX ADP 0.02711 0.41353 4.16667
50 2WOE AR6 0.009368 0.41286 4.16667
51 4XFR CIT 0.04401 0.4074 4.16667
52 1EX7 5GP 0.02857 0.42018 4.30108
53 4BHN BH9 0.003512 0.43537 4.58333
54 1U5R ATP 0.006505 0.43359 4.58333
55 5UOX 8GY 0.007265 0.41782 4.58333
56 5AJP UDP 0.01697 0.41332 4.58333
57 4OKD GLC GLC GLC 0.03748 0.41139 4.58333
58 4WZ6 ATP 0.04614 0.41045 4.58333
59 2C04 GCP 0.02007 0.40659 4.58333
60 3GC8 B45 0.01389 0.40241 4.58333
61 1XJD STU 0.02204 0.40167 4.58333
62 5N53 8NB 0.04314 0.41178 4.61538
63 2GL0 ADN 0.04373 0.40995 4.79042
64 5HWK BEZ 0.01145 0.44482 5
65 5LMK 6ZK 0.0162 0.41773 5
66 3ENV ABF 0.02493 0.41181 5.10638
67 3VGL ANP 0.01347 0.41821 5.41667
68 2ACV UDP 0.02381 0.40938 5.41667
69 4OH4 ANP 0.01656 0.40749 5.41667
70 3GUZ PAF 0.02852 0.41848 5.68182
71 4WES HCA 0.03754 0.42008 5.83333
72 1C1X HFA 0.02265 0.41395 5.83333
73 1WDI CIT 0.04634 0.40993 5.83333
74 5XLY C2E 0.006196 0.43094 6.01504
75 4V3I ASP LEU THR ARG PRO 0.01737 0.43132 6.25
76 3ALN ANP 0.02383 0.40611 6.25
77 1SQ5 ADP 0.03856 0.40208 6.25
78 3PNA CMP 0.02432 0.41989 6.49351
79 2V5K OXM 0.006305 0.46431 6.66667
80 2AWN ADP 0.02122 0.43165 6.66667
81 2QV7 ADP 0.01646 0.41397 6.66667
82 2IVD ACJ 0.02584 0.41102 7.08333
83 5TCI MLI 0.04685 0.40134 7.08333
84 5T8U LPA 0.04138 0.4005 7.08333
85 3JUC PCA 0.02958 0.41619 7.18954
86 5BXV MGP 0.04625 0.40074 7.29167
87 1B74 DGN 0.02139 0.42296 7.5
88 5L8L ADP 0.02015 0.42028 7.5
89 5TME UDP 0.02408 0.41623 7.5
90 5G1X ADP 0.01772 0.41241 7.5
91 5GOE GDP 0.03403 0.4016 7.5
92 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03991 0.4269 7.82313
93 1MRH FMC 0.03983 0.41221 7.91667
94 4IDT T28 0.004592 0.44093 8.75
95 2VZ6 FEF 0.01552 0.42232 9.16667
96 3W68 4PT 0.04507 0.41327 9.16667
97 2V51 ATP 0.01094 0.40984 9.375
98 2X1E X1E 0.006229 0.46068 9.58333
99 2DVZ GLU 0.03572 0.40724 9.58333
100 1J78 OLA 0.02152 0.41543 10.4167
101 1MVN FMN 0.009581 0.40409 11.4833
102 2IYF UDP 0.01715 0.42801 11.6667
103 3NHB ADP 0.03813 0.41512 11.6667
104 3OF1 CMP 0.006197 0.44693 12.5
105 4F9C 0SX 0.02499 0.4051 13.1944
106 2W58 ADP 0.04055 0.413 13.3663
107 2PBD ATP 0.009025 0.41664 13.9535
108 3GCM 5GP 0.01897 0.40718 14.6341
109 1LCF OXL 0.03537 0.41129 17.0833
110 3NRR NAP 0.00000000000003231 0.731 28.3333
111 3NRR D16 0.00000000000001121 0.70874 28.3333
112 5DXV NAP 0.0000000004281 0.53147 32.6923
113 4EIL NDP 0.0000000000009993 0.79836 38.3333
114 4EIL FOL 0.00000001115 0.72269 38.3333
Pocket No.: 2; Query (leader) PDB : 3RG9; Ligand: NDP; Similar sites found: 109
This union binding pocket(no: 2) in the query (biounit: 3rg9.bio2) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KYF 5GP 5GP 0.002922 0.46047 None
2 2FKA BEF 0.0121 0.42315 None
3 3KO0 TFP 0.04726 0.40905 None
4 3B5J 12D 0.0368 0.41124 1.25
5 1XPJ TLA 0.01573 0.41878 1.5873
6 1V0O INR 0.01767 0.40621 1.66667
7 3FHR P4O 0.003301 0.43682 2.08333
8 5F7J ADE 0.01608 0.43277 2.08333
9 4UP4 NDG 0.02456 0.41191 2.08333
10 3MBC NAP 0.02714 0.4102 2.08333
11 5C03 AGS 0.01996 0.4037 2.08333
12 1NJJ ORX 0.0143 0.40154 2.08333
13 4HA9 NDP 0.00000008358 0.4981 2.5
14 3ITJ CIT 0.01957 0.42866 2.5
15 3PA8 621 0.02691 0.41868 2.5
16 2F2U M77 0.01946 0.41807 2.5
17 1GOJ ADP 0.03442 0.41483 2.5
18 1G6H ADP 0.04681 0.41023 2.5
19 4HAQ CTR 0.03424 0.40184 2.5
20 1L5Y BEF 0.04627 0.40415 2.58065
21 4R2I ANP 0.04687 0.40546 2.85714
22 5DH3 5BS 0.003816 0.4304 2.91667
23 5EFQ ADP 0.02 0.40366 2.91667
24 3BAZ NAP 0.007537 0.40268 2.91667
25 5JZJ AN2 0.02174 0.40194 2.91667
26 3NOJ PYR 0.0346 0.41627 2.94118
27 3B6C SDN 0.02742 0.41823 2.99145
28 4UCC ZKW 0.02371 0.40983 3.00429
29 5NBW 8SK 0.02693 0.40715 3.15315
30 2VOH CIT 0.02587 0.42039 3.18471
31 2GUE NAG 0.02897 0.40307 3.27869
32 1T10 F6P 0.01547 0.43431 3.33333
33 4PPF FLC 0.02966 0.42784 3.33333
34 5LUN OGA 0.03244 0.40654 3.33333
35 4IEE AGS 0.0384 0.40634 3.33333
36 2FFU UDP 0.01892 0.40481 3.33333
37 1T9D P22 0.008978 0.44457 3.75
38 5FJJ MAN 0.0185 0.42986 3.75
39 4B1X ATP 0.01346 0.40271 3.75
40 2WQN ADP 0.03381 0.40213 3.75
41 5FUI APY 0.01584 0.41545 3.78788
42 3KYG 5GP 5GP 0.007269 0.42101 3.96476
43 1YBH P22 0.01175 0.4294 4.16667
44 5HTX ADP 0.0238 0.41353 4.16667
45 2WOE AR6 0.007957 0.41286 4.16667
46 4XFR CIT 0.03945 0.4074 4.16667
47 1EX7 5GP 0.03756 0.41075 4.30108
48 4BHN BH9 0.002962 0.43537 4.58333
49 1U5R ATP 0.005344 0.43447 4.58333
50 5UOX 8GY 0.006154 0.41782 4.58333
51 5AJP UDP 0.01402 0.41429 4.58333
52 4OKD GLC GLC GLC 0.03343 0.41139 4.58333
53 4WZ6 ATP 0.04112 0.41045 4.58333
54 2C04 GCP 0.01735 0.40659 4.58333
55 1XJD STU 0.01901 0.40167 4.58333
56 5N53 8NB 0.03842 0.41178 4.61538
57 5HWK BEZ 0.01011 0.44482 5
58 5LMK 6ZK 0.0144 0.41722 5
59 1JJ7 ADP 0.04826 0.40709 5
60 3ENV ABF 0.0218 0.41181 5.10638
61 5F90 GLA GAL 0.04674 0.40386 5.12821
62 3VGL ANP 0.01163 0.41821 5.41667
63 2ACV UDP 0.02075 0.40938 5.41667
64 4OH4 ANP 0.01408 0.40773 5.41667
65 3GUZ PAF 0.02546 0.41848 5.68182
66 2V7Y ADP 0.009141 0.41975 5.83333
67 1C1X HFA 0.01978 0.41395 5.83333
68 1WDI CIT 0.0413 0.40993 5.83333
69 5XLY C2E 0.004692 0.43339 6.01504
70 5EXA 5SO 0.02612 0.41528 6.08696
71 3ALN ANP 0.02062 0.40619 6.25
72 3PNA CMP 0.02139 0.41989 6.49351
73 2AWN ADP 0.01896 0.43165 6.66667
74 2QV7 ADP 0.01424 0.41397 6.66667
75 2YVK MRU 0.005733 0.4293 7.08333
76 2IVD ACJ 0.0226 0.41102 7.08333
77 5TCI MLI 0.04203 0.40134 7.08333
78 3MN7 ATP 0.01162 0.40272 7.14286
79 3JUC PCA 0.02899 0.41204 7.18954
80 5L8L ADP 0.01764 0.42028 7.5
81 5TME UDP 0.02111 0.41623 7.5
82 5G1X ADP 0.01534 0.41241 7.5
83 5GOE GDP 0.02977 0.4016 7.5
84 5E5U MLI 0.04273 0.4175 7.53769
85 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03586 0.4269 7.82313
86 1MRH FMC 0.03533 0.41221 7.91667
87 4IDT T28 0.003921 0.44093 8.75
88 3GQT UFO 0.02641 0.40759 8.75
89 2VZ6 FEF 0.01351 0.42232 9.16667
90 3W68 4PT 0.04055 0.41327 9.16667
91 2V51 ATP 0.009308 0.40984 9.375
92 2X1E X1E 0.005508 0.46068 9.58333
93 2DVZ GLU 0.03145 0.40724 9.58333
94 1J78 OLA 0.0193 0.41543 10.4167
95 5T46 MGP 0.04152 0.40587 10.6061
96 2IYF UDP 0.01503 0.42801 11.6667
97 3NHB ADP 0.03392 0.41512 11.6667
98 3OF1 CMP 0.005361 0.44693 12.5
99 4UEC MGT 0.03197 0.41653 12.5
100 4F9C 0SX 0.02172 0.4051 13.1944
101 2NUN ADP 0.04603 0.40212 13.3127
102 2W58 ADP 0.03632 0.413 13.3663
103 3GCM 5GP 0.01713 0.40718 14.6341
104 1LCF OXL 0.03186 0.41129 17.0833
105 3NRR NAP 0.0000000000000423 0.70782 28.3333
106 3NRR D16 0.0000000000000534 0.66993 28.3333
107 5DXV NAP 0.0000000003028 0.55861 32.6923
108 4EIL NDP 0.0000000000006382 0.79836 38.3333
109 4EIL FOL 0.00000007679 0.67575 38.3333
Pocket No.: 3; Query (leader) PDB : 3RG9; Ligand: NDP; Similar sites found: 19
This union binding pocket(no: 3) in the query (biounit: 3rg9.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AHO TLA 0.006569 0.45791 2.5
2 3CBG SAH 0.02279 0.40199 2.58621
3 1SKQ GDP 0.02863 0.40681 2.91667
4 2HYR BGC GLC 0.03352 0.40124 3.27869
5 2NUO BGC 0.03075 0.40054 3.27869
6 4QAR ADE 0.02477 0.40658 3.48259
7 1SQK ADP 0.01761 0.41054 3.75
8 1F6D UDP 0.03837 0.40371 3.75
9 4ZBY URA 0.04566 0.41389 4.12371
10 2XT3 ADP 0.01846 0.43031 4.58333
11 2Y6P CTP 0.02666 0.41198 5.12821
12 1ULE GLA GAL NAG 0.04981 0.40165 5.33333
13 5M06 ADP 0.02946 0.40283 5.83333
14 3HZT J60 0.04441 0.40038 8.33333
15 2A3Z ATP 0.01133 0.41007 10
16 1VHT BA3 0.03133 0.40149 10.0917
17 1MVN FMN 0.008072 0.40516 11.4833
18 5A3Y VAL LYS 0.0431 0.40884 12.5
19 3LRE ADP 0.01751 0.43065 15
Pocket No.: 4; Query (leader) PDB : 3RG9; Ligand: WRA; Similar sites found: 19
This union binding pocket(no: 4) in the query (biounit: 3rg9.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FYS PLM 0.007476 0.41142 1.66667
2 1L5Y BEF 0.04715 0.40794 2.58065
3 1SKQ GDP 0.03121 0.40681 2.91667
4 2J5V PCA 0.03447 0.43188 3.33333
5 2FFU UDP 0.02078 0.40587 3.33333
6 3NKS ACJ 0.03007 0.40115 3.33333
7 4URG C2E 0.04648 0.40901 3.59281
8 1SQK ADP 0.01934 0.41054 3.75
9 4ZBY URA 0.04891 0.41389 4.12371
10 2Y6P CTP 0.02902 0.41198 5.12821
11 2V7Y ADP 0.0119 0.41744 5.83333
12 5M06 ADP 0.03217 0.40283 5.83333
13 2YVK MRU 0.008847 0.42358 7.08333
14 5E5U MLI 0.01039 0.44836 7.53769
15 3HZT J60 0.04816 0.40038 8.33333
16 3GQT UFO 0.02734 0.40976 8.75
17 1VHT BA3 0.0342 0.40149 10.0917
18 4UEC MGT 0.0263 0.42682 12.5
19 3LRE ADP 0.01891 0.43065 15
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