Receptor
PDB id Resolution Class Description Source Keywords
3TK1 2.4 Å EC: 3.6.-.- CRYSTAL STRUCTURE OF A MEAB AND RV1496 ORTHOLOG FROM MYCOBAC THERMORESISTIBLE BOUND TO GDP MYCOBACTERIUM THERMORESISTIBILE STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID MEAB MMAA METHYLMALONIC ACIDURV1496 THERMOPHILE GDP RAS-LIKE GTPASE G-PROTEIN HYDRO
Ref.: CRYSTAL STRUCTURES OF MYCOBACTERIAL MEAB AND MMAA-L GTPASES. J.STRUCT.FUNCT.GENOM. V. 16 91 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:328;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GDP A:327;
B:327;
Valid;
Valid;
none;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TK1 2.4 Å EC: 3.6.-.- CRYSTAL STRUCTURE OF A MEAB AND RV1496 ORTHOLOG FROM MYCOBAC THERMORESISTIBLE BOUND TO GDP MYCOBACTERIUM THERMORESISTIBILE STRUCTURAL GENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SSGCID MEAB MMAA METHYLMALONIC ACIDURV1496 THERMOPHILE GDP RAS-LIKE GTPASE G-PROTEIN HYDRO
Ref.: CRYSTAL STRUCTURES OF MYCOBACTERIAL MEAB AND MMAA-L GTPASES. J.STRUCT.FUNCT.GENOM. V. 16 91 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3TK1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3MD0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3TK1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3MD0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4JYB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
3 2QM7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 4JYC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 4LC1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3TK1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 153
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 GNP 0.839506 0.973684
6 G 0.828947 0.986486
7 5GP 0.828947 0.986486
8 G1R 0.82716 0.986667
9 GCP 0.82716 0.973684
10 GSP 0.817073 0.948718
11 GAV 0.797619 0.961039
12 GMV 0.792683 0.973684
13 G2P 0.77381 0.961039
14 G2R 0.770115 0.961039
15 GDP MG 0.759036 0.923077
16 GP2 0.756098 0.961039
17 GDP BEF 0.75 0.9
18 GDD 0.747253 0.961039
19 GKE 0.747253 0.961039
20 GDC 0.747253 0.961039
21 GPG 0.741573 0.961039
22 G3D 0.732558 0.986486
23 ALF 5GP 0.729412 0.888889
24 Y9Z 0.728261 0.902439
25 GTP MG 0.724138 0.923077
26 BEF GDP 0.724138 0.888889
27 G5P 0.723404 0.973684
28 GFB 0.72043 0.961039
29 GTG 0.72043 0.936709
30 GDR 0.72043 0.961039
31 G4P 0.715909 0.986486
32 GCP G 0.715909 0.935065
33 6CK 0.712766 0.936709
34 G3A 0.712766 0.973684
35 GDP ALF 0.7 0.888889
36 GDP AF3 0.7 0.888889
37 YGP 0.698925 0.901235
38 JB2 0.697917 0.961039
39 GKD 0.697917 0.961039
40 GDX 0.690722 0.973684
41 GPD 0.690722 0.925
42 GMP 0.684211 0.88
43 0O2 0.666667 0.986486
44 G G 0.659574 0.935065
45 JB3 0.656863 0.948718
46 NGD 0.650485 0.961039
47 GDP 7MG 0.636364 0.911392
48 DGI 0.636364 0.923077
49 U2G 0.634615 0.936709
50 GPX 0.634409 0.946667
51 IDP 0.632184 0.972973
52 2MD 0.632075 0.891566
53 CAG 0.62963 0.880952
54 CG2 0.622642 0.936709
55 FEG 0.619048 0.879518
56 MGD 0.614679 0.891566
57 ZGP 0.613208 0.869048
58 GH3 0.612903 0.973333
59 3GP 0.611765 0.946667
60 MD1 0.607143 0.891566
61 PGD 0.59292 0.925
62 DGT 0.591398 0.923077
63 BGO 0.588785 0.924051
64 TPG 0.582609 0.840909
65 DBG 0.582609 0.948718
66 2GP 0.574713 0.96
67 FE9 0.570175 0.776596
68 I2C FE2 CMO CMO 0.566372 0.808989
69 G A A A 0.553571 0.923077
70 MGP 0.553191 0.961039
71 U A G G 0.548673 0.935065
72 G4M 0.548387 0.880952
73 6G0 0.547368 0.961039
74 G1R G1R 0.542373 0.924051
75 P2G 0.527473 0.883117
76 PGD O 0.525 0.850575
77 ADP 0.522222 0.92
78 GGM 0.517544 0.901235
79 DG 0.516484 0.910256
80 DGP 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G G U 0.509259 0.935065
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 G C 0.504348 0.9
86 GPC 0.491525 0.879518
87 G7M 0.483871 0.948052
88 6AD 0.479592 0.841463
89 ATP 0.473684 0.92
90 G2Q 0.471154 0.961039
91 U G A 0.469697 0.888889
92 5FA 0.46875 0.92
93 AQP 0.46875 0.92
94 GTA 0.468468 0.936709
95 7DD 0.468085 0.906667
96 G G G RPC 0.466102 0.875
97 SGP 0.463158 0.82716
98 01G 0.462963 0.902439
99 B4P 0.457447 0.894737
100 AP5 0.457447 0.894737
101 A2D 0.456522 0.894737
102 G G G C 0.455285 0.9125
103 ACQ 0.454545 0.896104
104 5GP 5GP 0.454545 0.883117
105 ANP 0.454545 0.896104
106 A G C C 0.451613 0.911392
107 APC G U 0.45082 0.886076
108 G U34 0.449153 0.888889
109 DG DG 0.448598 0.865854
110 ITT 0.447917 0.868421
111 BA3 0.446809 0.894737
112 35G 0.444444 0.933333
113 C2E 0.444444 0.921053
114 PCG 0.444444 0.933333
115 MGO 0.441176 0.864198
116 AN2 0.4375 0.907895
117 G C C C 0.4375 0.924051
118 M33 0.43299 0.883117
119 UCG 0.429688 0.911392
120 A G U 0.42963 0.888889
121 ACP 0.428571 0.896104
122 MGQ 0.424528 0.935897
123 7DT 0.424242 0.906667
124 APR 0.424242 0.894737
125 AR6 0.424242 0.894737
126 93A 0.42268 0.833333
127 A4P 0.420168 0.869048
128 SAP 0.42 0.873418
129 AD9 0.42 0.896104
130 AGS 0.42 0.873418
131 G8D 0.42 0.875
132 CA0 0.418367 0.896104
133 ATF 0.417476 0.884615
134 AGO 0.414634 0.888889
135 NIA 0.413043 0.82716
136 MGV 0.412844 0.890244
137 TAT 0.411765 0.884615
138 A1R 0.411215 0.839506
139 ADQ 0.411215 0.871795
140 RGT 0.410714 0.909091
141 CGP 0.409836 0.86747
142 AMP 0.408602 0.893333
143 A 0.408602 0.893333
144 UP5 0.40678 0.873418
145 C2R 0.406593 0.906667
146 AMZ 0.406593 0.918919
147 JBT 0.405882 0.778947
148 A22 0.40566 0.907895
149 25L 0.405405 0.907895
150 ADX 0.40404 0.809524
151 8OD 0.401961 0.946667
152 4TC 0.4 0.851852
153 50T 0.4 0.883117
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TK1; Ligand: GDP; Similar sites found: 591
This union binding pocket(no: 1) in the query (biounit: 3tk1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z0A GDP 0.00000000003549 0.83636 None
2 1Z2A GDP 0.00000000752 0.53555 None
3 3F8K COA 0.02367 0.40821 None
4 1V8K ANP 0.00002901 0.49951 0.909091
5 2B8W ALF 5GP 0.00008319 0.53551 1.21951
6 2J0V GDP 0.000000003165 0.73472 1.41509
7 1F9V ADP 0.000001253 0.57587 1.51515
8 2D7D ADP 0.0002783 0.48686 1.51515
9 2PL3 ADP 0.00007862 0.49317 1.69492
10 1GOJ ADP 0.0000003322 0.63943 1.81818
11 5JCP GDP ALF 0.00000005981 0.55234 1.81818
12 2WKQ GTP 0.00000004006 0.51054 1.81818
13 1W5T ADP 0.0005742 0.40899 1.81818
14 5MEX SZZ 0.01061 0.4417 1.86335
15 5MEX PAP 0.004162 0.44029 1.86335
16 4FCW ADP 0.0002275 0.49412 1.92926
17 2XT3 ADP 0.0000004767 0.63066 2.12121
18 2NCD ADP 0.000002389 0.58781 2.12121
19 2QEN ADP 0.000009098 0.5726 2.12121
20 1XKV ATP 0.000008545 0.56798 2.12121
21 2VVG ADP 0.0000003449 0.55761 2.12121
22 3DC4 ADP 0.000009669 0.55109 2.12121
23 2ZFI ADP 0.000007813 0.52346 2.12121
24 5XDR ADP 0.0000266 0.48325 2.12121
25 5VGR GDP 0.00003032 0.44905 2.12121
26 5M7P ADP 0.00006824 0.42892 2.12121
27 4PJ3 ANP 0.0003886 0.42441 2.12121
28 3RC3 ANP 0.004651 0.41297 2.12121
29 1Y3A GDP 0.00000003781 0.70564 2.12766
30 3R96 AMP 0.006379 0.4537 2.12766
31 3R96 ACO 0.006379 0.4537 2.12766
32 4WEI GLC GAL 0.013 0.40111 2.16606
33 3MGB PAP 0.003966 0.44329 2.19436
34 5CK5 GDP 0.000000002046 0.73438 2.21519
35 1BH2 GSP 0.00000007449 0.70347 2.22222
36 2X7I CIT 0.0006084 0.43978 2.27273
37 1RRC ADP 0.0000005541 0.57058 2.32558
38 5CEO 50D 0.02116 0.40244 2.33333
39 2Z5F A3P 0.002783 0.45115 2.34899
40 2ZE7 AMP 0.002339 0.46216 2.37154
41 2ZE7 DST 0.002512 0.46216 2.37154
42 4RZ3 ADP 0.000001518 0.49592 2.37288
43 3BER AMP 0.0004598 0.44949 2.40964
44 2RCN GDP 0.0000000001001 0.80385 2.42424
45 1D2E GDP 0.00000000004315 0.67486 2.42424
46 3LRE ADP 0.0000002272 0.65166 2.42424
47 4PPF FLC 0.00000242 0.59905 2.42424
48 5I0H ADP BEF 0.00004695 0.54164 2.42424
49 2JLR ANP 0.0001219 0.51314 2.42424
50 2ZR9 DTP 0.00002532 0.49822 2.42424
51 2FSH ANP 0.0003811 0.47709 2.42424
52 5I34 GDP 0.00007905 0.47286 2.42424
53 3DZD ADP 0.0001946 0.43655 2.42424
54 4W93 3L9 0.02612 0.41619 2.42424
55 2YNC YNC 0.0381 0.41041 2.42424
56 1T5C ADP 0.000001837 0.5281 2.5788
57 2QZ4 ADP 0.00001887 0.55082 2.67176
58 2B8T THM 0.001512 0.46663 2.69058
59 3GJ3 GDP 0.000000000006127 0.86354 2.71493
60 3GJ0 GDP 0.000000000009223 0.77446 2.71493
61 3WY9 GDP 0.00000000001421 0.79798 2.72727
62 1KK1 GNP 0.0000000001119 0.79599 2.72727
63 3WYA GDP 0.00000000003264 0.7522 2.72727
64 1G7S GDP 0.00000000001852 0.7346 2.72727
65 1IWE IMP 0.0003665 0.56245 2.72727
66 2FAH GDP 0.00004269 0.536 2.72727
67 4LYA ATP 0.000002303 0.53173 2.72727
68 1R6B ADP 0.00005729 0.52379 2.72727
69 3V2U ATP 0.0006312 0.4861 2.72727
70 5MZN ADP 0.000287 0.47978 2.72727
71 1G41 ADP 0.00003528 0.47565 2.72727
72 2FNA ADP 0.00002248 0.42549 2.72727
73 4YS0 ADP 0.0003367 0.41962 2.72727
74 3FVQ ATP 0.0001261 0.41602 2.72727
75 4WZ6 ATP 0.00004293 0.52478 2.75862
76 1NST A3P 0.0005021 0.48467 2.76923
77 3CH5 GDP 0.00000000001112 0.85631 2.77778
78 5HGZ ACO 0.02958 0.40456 2.88066
79 1T8U UAP SGN IDS SGN 0.007232 0.45285 2.94118
80 1T8U A3P 0.002961 0.44978 2.94118
81 2GCN GDP 0.00000004573 0.69841 2.98507
82 2GCO GNP 0.00000004054 0.69127 2.98507
83 1CJW COT 0.02235 0.41504 3.01205
84 2DPY ADP 0.000004423 0.56754 3.0303
85 4IHQ ADP 0.00002708 0.53316 3.0303
86 1IBR GNP 0.000000003041 0.51261 3.0303
87 1QHG ATP 0.002271 0.44937 3.0303
88 1FNN ADP 0.00003323 0.44279 3.0303
89 1YTM ATP 0.00007477 0.42952 3.0303
90 1U3D FAD 0.02742 0.4103 3.0303
91 1VM6 NAD 0.02768 0.40747 3.07018
92 1SVI GDP 0.0000000004386 0.76703 3.07692
93 5MVR ADP 0.0000207 0.50724 3.08642
94 1R0X ATP 0.0004215 0.47495 3.14685
95 2X77 GDP 0.0000000002417 0.69055 3.1746
96 1Z06 GNP 0.0000000001447 0.55921 3.1746
97 3BD9 A3P 0.001777 0.41433 3.21429
98 1KMQ GNP 0.00000009718 0.68452 3.26087
99 4ZNL BEF ADP 0.00007307 0.4684 3.28467
100 2BIF ANP 0.00002817 0.57481 3.33333
101 2BIF SIN 0.00004867 0.57481 3.33333
102 1IN4 ADP 0.00000937 0.57472 3.33333
103 1WDT GTP 0.0000001468 0.52646 3.33333
104 4P4T GDP 0.0000001369 0.52372 3.33333
105 1U3G THF 0.02455 0.40587 3.33333
106 4XSH GSP 0.00000004166 0.5428 3.35196
107 1CR1 TTP 0.00001481 0.56721 3.37838
108 5HR5 ADP 0.00001226 0.46183 3.38983
109 2XTN GTP 0.0000001818 0.49096 3.4188
110 1YRB GDP 0.00000000002325 0.68293 3.43511
111 5HPY GDP 0.00000002914 0.69851 3.44828
112 2B4D COA 0.009787 0.42321 3.50877
113 1OJ4 ANP 0.008573 0.42238 3.53357
114 1LFD GNP 0.0000000005215 0.80799 3.59281
115 3REF GDP 0.00000003417 0.51843 3.60825
116 5FG3 GDP 0.0000000000142 0.83976 3.63636
117 4J0Q GDP 0.00000000001529 0.79694 3.63636
118 3AB3 GDP 0.000000003625 0.75147 3.63636
119 1ZCB GDP 0.00000002577 0.71993 3.63636
120 3CX8 GSP 0.00000001132 0.48441 3.63636
121 1YS4 NAP 0.01555 0.41619 3.63636
122 4IDN GNP 0.00007133 0.41366 3.63636
123 4PSW COA 0.01609 0.40654 3.63636
124 1TAD GDP 0.0000000141 0.74151 3.7037
125 1TAD ALF 0.0000000141 0.47853 3.7037
126 2VOH CIT 0.01901 0.41328 3.82166
127 2RGX AP5 0.0003871 0.52436 3.8835
128 5IRR GSP 0.0000006059 0.48306 3.8961
129 4U5X GNP 0.00000004674 0.69156 3.93258
130 4D0N GDP 0.00000000702 0.71306 3.93939
131 2AWN ADP 0.00000004487 0.70208 3.93939
132 1TQ4 GDP 0.0000000003101 0.59145 3.93939
133 5TSH ANP 0.000004212 0.57639 3.93939
134 5TSH ADP 0.000001857 0.56747 3.93939
135 4ZKD GDP 0.0000000002538 0.53236 3.93939
136 4HSE ADP 0.000009214 0.50519 3.93939
137 3TBK ANP 0.0001397 0.49492 3.93939
138 1XP8 AGS 0.0001502 0.47998 3.93939
139 4XGU ADP 0.00003686 0.45383 3.93939
140 1K6M AGS 0.00001283 0.42366 3.93939
141 2ZPT A3P 0.02068 0.43865 4.0678
142 3GJ5 GDP 0.00000000001159 0.85542 4.0724
143 3GJ7 GDP 0.00000000001256 0.76935 4.0724
144 3GJ4 GDP 0.0000000000167 0.76414 4.0724
145 3GJ8 GDP 0.00000000001107 0.74267 4.0724
146 4XOI GTP 0.0000001274 0.48737 4.07407
147 1QF9 C5P 0.0009002 0.49846 4.12371
148 4LPS GDP 0.00000007059 0.59222 4.13223
149 3LXR GDP 0.000000009385 0.60877 4.16667
150 1BO4 COA 0.001695 0.42139 4.16667
151 2KIN ADP 0.0000006619 0.54591 4.20168
152 2XTZ GSP 0.000000005246 0.75587 4.24242
153 3P4X ADP 0.000003264 0.57802 4.24242
154 4PFO ADP 0.00007472 0.53994 4.24242
155 2IS6 ADP 0.00003976 0.52844 4.24242
156 2VF7 ADP 0.0001075 0.51025 4.24242
157 2FH5 GTP 0.000000001229 0.57547 4.32432
158 3AQ4 GDP 0.00000000006983 0.71467 4.34783
159 1Z0K GTP 0.0000000001452 0.57511 4.34783
160 4YDS ATP 0.00002682 0.52963 4.38596
161 1GXU 2HP 0.000003777 0.58461 4.3956
162 4R98 GNH 0.000000002149 0.67789 4.42804
163 2WIC GNP 0.000000003042 0.64826 4.49438
164 4U00 ADP 0.0000005176 0.54972 4.5082
165 1XTQ GDP 0.000000001214 0.78259 4.51977
166 4BAS GNP 0.000000002 0.7681 4.52261
167 1DAR GDP 0.0000000001229 0.79947 4.54545
168 4NCN GTP 0.000000005708 0.74795 4.54545
169 5GOE GDP 0.0000000001116 0.68223 4.54545
170 2CE7 ADP 0.00001629 0.554 4.54545
171 2Q2Y ADP 0.0001228 0.54909 4.54545
172 2Q2Y MKR 0.0001188 0.54856 4.54545
173 4TMZ GSP 0.000000006757 0.53356 4.54545
174 3QF7 ANP 0.0001289 0.51692 4.54545
175 1TX4 ALF GDP 0.0000001286 0.49628 4.54545
176 1AZT GSP 0.000000008608 0.48521 4.54545
177 2VAP GDP 0.02093 0.41782 4.54545
178 4ZG4 VO4 ADP 0.00003035 0.41372 4.54545
179 2I4I AMP 0.001151 0.40501 4.54545
180 4OHY ANP 0.00005465 0.40057 4.54545
181 3T5G GDP 0.0000000002161 0.79723 4.60526
182 1BG2 ADP 0.000001181 0.53596 4.61538
183 2CBZ ATP 0.000001468 0.60867 4.64135
184 2CJW GDP 0.0000000000201 0.76202 4.6875
185 3EFS BTN 0.02126 0.40415 4.72103
186 1G3M PCQ 0.01026 0.44355 4.7619
187 5X40 ACP 0.0001276 0.52384 4.79452
188 1NY5 ADP 0.0001144 0.5171 4.84848
189 1JJV ATP 0.000005846 0.54579 4.85437
190 2IL4 COA 0.0004895 0.41465 4.85437
191 3DDC GNP 0.0000000007545 0.52315 4.90798
192 1UKZ ADP 0.0001381 0.53797 4.92611
193 3CPJ GDP 0.0000000001044 0.8176 4.93274
194 2W58 ADP 0.000001017 0.61914 4.9505
195 1PUJ GNP 0.0000000001945 0.80403 4.96454
196 3EWA ANP 0.00003725 0.52983 4.96894
197 2EW1 GNP 0.0000000001133 0.83566 4.97512
198 3E5H GNP 0.000000003647 0.76407 5.05618
199 3FWY ADP 0.0000003139 0.6464 5.09554
200 5K5Z ANP 0.00005026 0.40653 5.09554
201 1ZRH A3P 0.02124 0.40591 5.10949
202 4GDX GLU 0.003961 0.43237 5.12821
203 3VMF GTP 0.0000000002521 0.8244 5.15152
204 3WXM GTP 0.000000001062 0.79194 5.15152
205 1GOT GDP 0.00000002387 0.71288 5.15152
206 2ZPA ADP 0.00001632 0.56249 5.15152
207 5IRN ADP 0.000004631 0.49199 5.15152
208 5GRF ADP 0.03731 0.40189 5.15152
209 2ZPA ACO 0.03038 0.40104 5.15152
210 2HT6 GDP 0.00000000001614 0.83704 5.17241
211 1OW3 GDP 0.00000006352 0.68143 5.18135
212 1SQ5 ADP 0.000006428 0.50935 5.19481
213 4YLG GDP 0.0000000001402 0.64029 5.20231
214 2A5J GDP 0.00000000003512 0.70004 5.2356
215 5WDR GNP 0.0000000009245 0.52224 5.26316
216 5J1J ANP 0.000004818 0.44313 5.26316
217 2F3R G5P 0.001059 0.48937 5.31401
218 3Q85 GNP 0.00000000000117 0.89891 5.32544
219 4V0K GDP 0.0000000005955 0.54856 5.32544
220 4WOP CTP 0.00006163 0.42478 5.33333
221 3SBD GNP 0.00000005863 0.48577 5.34759
222 4K7O EKZ 0.01672 0.41307 5.35714
223 1GWN GTP 0.00000009678 0.67868 5.36585
224 3W5J GDP 0.0000004366 0.62627 5.39216
225 1JI0 ATP 0.0000163 0.5401 5.41667
226 1RYH GNP 0.000000004162 0.73317 5.41872
227 3Q72 GNP 0.0000000002758 0.77687 5.42169
228 2ZEJ GDP 0.000000001302 0.79031 5.43478
229 1G6H ADP 0.000002006 0.60153 5.44747
230 1MKY GDP 0.000000000005082 0.86753 5.45455
231 1SKQ GDP 0.0000000002568 0.74219 5.45455
232 4AG5 ADP 0.000001187 0.60417 5.45455
233 2OBM ADP 0.0000216 0.54744 5.45455
234 3WYF GTP 0.00000000487 0.76315 5.46218
235 2F9L GDP 0.0000000004469 0.56713 5.52764
236 4MKG AP5 0.0002681 0.53066 5.52995
237 3T1O GDP 0.000000005121 0.72868 5.55556
238 3T12 GDP ALF 0.000000006558 0.54217 5.55556
239 1Z0F GDP 0.00000000001815 0.84576 5.58659
240 2ZW5 COA 0.01939 0.41122 5.64784
241 2OZE AGS 0.00009906 0.52273 5.7047
242 4D0G GTP 0.00000000006784 0.59792 5.71429
243 4QRH 0O2 0.001053 0.47271 5.71429
244 1E96 GTP 0.00000004678 0.48891 5.72917
245 3GJX GTP 0.00000000971 0.74475 5.75758
246 2OG2 MLI 0.000001251 0.59623 5.75758
247 1W0J ADP 0.000006159 0.57819 5.75758
248 1W0J ADP BEF 0.00009707 0.52318 5.75758
249 3EZ2 ADP 0.0001185 0.48519 5.75758
250 4IEE AGS 0.0005399 0.45631 5.75758
251 1OYY AGS 0.001009 0.43332 5.75758
252 2CK3 ANP 0.00008652 0.43024 5.75758
253 3RLF ANP 0.00007569 0.4071 5.75758
254 2CK3 ADP 0.000104 0.40595 5.75758
255 1OIV GDP 0.0000000001262 0.84002 5.75916
256 1OIX GDP 0.0000000002229 0.82718 5.75916
257 1XX6 ADP 0.0004815 0.47515 5.75916
258 1JJ7 ADP 0.000001251 0.61273 5.76923
259 5KUT GDP 0.000000001319 0.75355 5.82011
260 5G41 AP5 0.0003587 0.52952 5.8296
261 2W2X GSP 0.00000001932 0.71439 5.94595
262 4JLV ADP 0.000104 0.50464 5.94796
263 1M7B GTP 0.00000004038 0.53126 5.97826
264 4MKF AP5 0.0001972 0.53915 5.99078
265 4DKX GDP 0.000000000052 0.7445 6.01852
266 3FB4 AP5 0.0001636 0.54231 6.01852
267 2C77 GNP 0.0000000002752 0.8086 6.06061
268 2C78 GNP 0.0000000001151 0.59115 6.06061
269 3COB ADP 0.0000005614 0.5707 6.06061
270 2GK6 ADP 0.000417 0.47193 6.06061
271 2GDJ ANP 0.0001925 0.46595 6.06061
272 3ZL8 ADP 0.02314 0.40399 6.06061
273 1Z6T ADP 0.000006174 0.47027 6.09137
274 5JCZ GDP 0.0000000001257 0.6243 6.14525
275 4M9Q GNP 0.00000000004219 0.60276 6.1674
276 2FJU GSP 0.00000001268 0.72372 6.17978
277 2FXV 5GP 0.03149 0.40171 6.18557
278 4LX0 BEF GDP 0.0000000004726 0.81328 6.21469
279 1GHE ACO 0.006467 0.43757 6.21469
280 1I4D GDP 0.0000000008998 0.71636 6.25
281 5H67 ATP 0.001422 0.41477 6.25
282 5WRJ A3P 0.0002137 0.51429 6.27063
283 4CVN ADP 0.0000003558 0.62053 6.28272
284 3NKV GNP 0.000000000325 0.54299 6.28571
285 4C4P GNP 0.0000000002514 0.82759 6.35838
286 4D81 ADP 0.00001191 0.47807 6.36042
287 1YQT ADP 0.000005571 0.5459 6.36364
288 1OXV ANP 0.00001802 0.54179 6.36364
289 4IOK XPO 0.0001073 0.52979 6.36364
290 4IOK ADP 0.000138 0.52979 6.36364
291 4H1V GNP 0.000001376 0.5087 6.36364
292 4U63 FAD 0.02866 0.40928 6.36364
293 2GJ8 ALF GDP 0.00000000004582 0.548 6.39535
294 5EE5 GTP 0.0000000001339 0.59472 6.43275
295 1B0U ATP 0.00002047 0.46303 6.48855
296 4PX9 ADP 0.00001266 0.52737 6.50685
297 5E5U MLI 0.009007 0.42562 6.53266
298 4R74 F6P 0.02109 0.40251 6.54206
299 3BOS CDP 0.00007828 0.51396 6.61157
300 1WF3 GNP 0.0000000005418 0.81019 6.64452
301 3IIJ ADP 0.000000357 0.62912 6.66667
302 5LB3 ADP 0.00005818 0.49919 6.66667
303 1U0J ADP 0.0003805 0.47712 6.74157
304 1A4R GNH 0.000000008649 0.72514 6.80628
305 1A4R GDP 0.00000001448 0.7174 6.80628
306 4ITR GDP 0.00000002819 0.7027 6.80628
307 2NGR GDP 0.00000001953 0.69556 6.80628
308 1GRN GDP 0.00000002987 0.56124 6.80628
309 5GVR LMR 0.00001984 0.55858 6.83761
310 2WMO GTP 0.00000002318 0.59437 6.84211
311 5KSP GDP 0.0000001033 0.58743 6.84211
312 2WJG GDP 0.0000000004061 0.71047 6.91489
313 3Q9L ATP 0.00003818 0.44883 6.92308
314 3B7G ANP 0.00005449 0.47675 6.95652
315 1M2O GNP 0.00000002212 0.72338 6.9697
316 2QTV GNP 0.00000003206 0.71222 6.9697
317 4R2I ANP 0.0002579 0.48203 6.9697
318 2ODE ALF GDP 0.00000001325 0.47964 6.9697
319 1WA5 GTP 0.000000005893 0.47246 6.9697
320 3T34 GDP 0.000007615 0.44092 6.9697
321 2IXE ATP 0.0001251 0.52215 7.01107
322 3RWO GDP 0.0000000002118 0.82833 7.02703
323 1R2Q GNP 0.0000000014 0.80679 7.05882
324 1CS4 GSP 0.00000002467 0.4853 7.07547
325 3KJI ADP 0.000000528 0.63173 7.08661
326 3ZQ6 ADP ALF 0.000003955 0.60851 7.09877
327 3RAB GNP 0.0000000002817 0.82189 7.10059
328 3NHB ADP 0.00000848 0.56101 7.18954
329 3FKQ ATP 0.000006145 0.4795 7.23861
330 2Y8E GNP 0.000000001655 0.52784 7.26257
331 1FP6 ADP 0.0000006718 0.52016 7.26644
332 1XMV ADP 0.00005924 0.52307 7.27273
333 3CV2 OXL 0.01134 0.41334 7.27273
334 2BCG GDP 0.0000000001087 0.62606 7.28155
335 1W7J ADP BEF 0.00002489 0.45071 7.28477
336 3BFV ADP 0.000002751 0.54288 7.38007
337 2BEK ATP 0.0001542 0.40767 7.393
338 1D5C GDP 0.0000000001881 0.80906 7.40741
339 1H65 GDP 0.0000002174 0.66369 7.40741
340 1HE1 GDP 0.00000001336 0.54571 7.40741
341 5EP2 AZU 0.01017 0.42235 7.42188
342 4TTQ ATP 0.000009533 0.55894 7.44186
343 3IUY AMP 0.0006182 0.46981 7.45614
344 3TNF GNP 0.0000000001696 0.83956 7.47126
345 4LHW GNP 0.0000000003002 0.54095 7.47126
346 1MH1 GNP 0.00000002005 0.48684 7.52688
347 4QOS ADP 0.00002761 0.47049 7.54717
348 1SVK ALF GDP 0.0000000174 0.73916 7.57576
349 1GP2 GDP 0.00000004162 0.51722 7.57576
350 1IHU AF3 0.0000005067 0.47869 7.57576
351 1IHU ADP 0.0000005722 0.4676 7.57576
352 5N69 ADP 0.0000626 0.45047 7.57576
353 1Q19 APC 0.01166 0.42103 7.57576
354 2FFQ GSP 0.000000002176 0.77866 7.60234
355 4WZA ADP 0.000007596 0.63643 7.6087
356 4WZA ACP 0.000007596 0.63643 7.6087
357 1G4U GDP 0.00000004972 0.54176 7.6087
358 1YZQ GNP 0.00000000116 0.79292 7.64706
359 1Z0J GTP 0.0000000005119 0.52916 7.64706
360 1YVD GNP 0.0000000002022 0.54839 7.69231
361 1ZUI SKM 0.00001367 0.59484 7.7381
362 1VHT BA3 0.00005062 0.46968 7.79817
363 1ION ADP 0.00001339 0.55825 7.81893
364 2WJH GDP 0.00000000058 0.77123 7.83133
365 2WJH FLC 0.000001179 0.61088 7.83133
366 3QBT GNP 0.0000000001416 0.55093 7.85714
367 1D8T GDP 0.000000000005616 0.8654 7.87879
368 4P3Y GDP 0.000000000005744 0.85895 7.87879
369 3U6B GDP 0.000000000006376 0.81356 7.87879
370 5JBQ GDP 0.000000000006374 0.78084 7.87879
371 4G5G GDP 0.000000000007099 0.77886 7.87879
372 3U6K GDP 0.0000000000328 0.75273 7.87879
373 2BVN GNP 0.0000000000399 0.67367 7.87879
374 3H4S ADP 0.0000007521 0.56521 7.87879
375 4FRZ ADP 0.000002845 0.55952 7.87879
376 5KDO GDP 0.00000006479 0.53485 7.87879
377 4KBF AMP 0.0007366 0.46311 7.87879
378 5HCN GCP 0.00000000005623 0.71701 8.04598
379 5TB5 GDP 0.00000000006207 0.69002 8.10811
380 5TAR GDP 0.00000000006671 0.66737 8.10811
381 1YZN GNP 0.0000000004174 0.53098 8.10811
382 4B47 GDP 0.00000000002283 0.78932 8.18182
383 1JWY GDP 0.0000004643 0.53312 8.18182
384 1JWY ADP 0.00004213 0.47871 8.18182
385 4LJ9 ACP 0.000589 0.47084 8.18182
386 1P9B GDP 0.0001096 0.44018 8.18182
387 1G16 GDP 0.0000000001309 0.82883 8.23529
388 1Z08 GNP 0.000000002849 0.5432 8.23529
389 4E03 ADP 0.000009204 0.56313 8.25243
390 2EFE GNH 0.0000000001945 0.6521 8.28729
391 1NJF ADP 0.00000507 0.58825 8.4
392 1NJF AGS 0.00001121 0.57588 8.4
393 3A4M ADP 0.0000002529 0.62772 8.46154
394 3VX3 ADP 0.000002767 0.47557 8.46774
395 5KSZ GCP 0.000000288 0.55541 8.48485
396 4R43 GDP 0.000006452 0.52785 8.48485
397 1OS1 PYR 0.0001789 0.52727 8.48485
398 1OS1 ATP 0.0001663 0.52727 8.48485
399 5FTB ANP 0.00008299 0.45386 8.48485
400 5FHD ADP ALF 0.0000644 0.42197 8.48485
401 4PC3 GDP 0.0000000001287 0.65952 8.51064
402 4ITM ATP 0.003171 0.45528 8.57143
403 3PCR GTP 0.0000000006439 0.56284 8.64198
404 1Y63 ADP 0.0000003003 0.58198 8.69565
405 2C04 GCP 0.000001939 0.50869 8.75421
406 2ZTS ADP 0.0000389 0.43517 8.76494
407 5XCO GDP 0.00000000006318 0.82854 8.77193
408 2WHX ADP 0.00002865 0.53451 8.78788
409 4P32 ADP 0.00007405 0.53383 8.83534
410 2CHG ANP 0.00002407 0.45901 8.84956
411 1B7T ADP 0.00006566 0.46005 8.97436
412 4KVX ACO 0.008777 0.43373 8.97436
413 4HDQ GNP 0.000000001189 0.79237 8.98204
414 4HDO GNP 0.0000000008443 0.52189 8.98204
415 1GUA GNP 0.000000001165 0.51803 8.98204
416 3X1Z GNP 0.000000001236 0.50899 8.98204
417 1NVV GNP 0.0000000005715 0.80897 9.03614
418 1NVU GTP 0.0000000006062 0.80764 9.03614
419 3KUD GDP 0.0000000005027 0.5889 9.03614
420 1WQ1 GDP 0.000000001651 0.54949 9.03614
421 4DCT GDP 0.00000000002941 0.72985 9.09091
422 1KK8 BEF ADP 0.00002262 0.45334 9.09091
423 4A4Z ANP 0.001074 0.43038 9.09091
424 1KO8 6PG 0.00001088 0.57142 9.14286
425 5SZH GNP 0.000000000124 0.84361 9.15033
426 3DKP ADP 0.00005283 0.52236 9.38776
427 1G7C 5GP 0.000000005824 0.65855 9.39394
428 3ZFD ANP 0.00002132 0.54818 9.39394
429 5GJC ATP 0.00007627 0.48064 9.39394
430 2VB6 ADP BEF 0.00004916 0.40949 9.39597
431 1EK0 GNP 0.0000000005355 0.53932 9.41177
432 3M1I GTP 0.000000004074 0.76445 9.42408
433 1DS6 GDP 0.000000001213 0.75056 9.44444
434 2PZ8 APC 0.008038 0.42935 9.50704
435 3ZIA ADP 0.00001179 0.56405 9.52381
436 5UQW GDP 0.000000000149 0.56106 9.52381
437 3ZIA ATP 0.00001532 0.55217 9.52381
438 1CLU DBG 0.000000003124 0.41646 9.63855
439 4BQS ADP 0.000001693 0.54974 9.65909
440 4RD0 GDP 0.00000000008063 0.83962 9.69697
441 2QN6 GDP 0.00000000002764 0.78567 9.69697
442 4YC7 GNP 0.00000003732 0.70293 9.69697
443 1UAD GNP 0.000000001266 0.78796 9.71429
444 3PQC GDP 0.000000004325 0.61904 9.74359
445 1UPT GTP 0.0000000001108 0.83254 10
446 3H86 AP5 0.000002436 0.63333 10
447 2WOJ ADP ALF 0.000004123 0.42521 10
448 3ZS9 ADP ALF 0.00000512 0.42346 10
449 2VYN NAD 0.03848 0.40365 10
450 1KQN NAD 0.04502 0.40334 10.0358
451 1U8Z GDP 0.0000000006429 0.5588 10.119
452 1G3Q ADP 0.000005867 0.51482 10.1266
453 2O0J ADP 0.002091 0.438 10.303
454 3CNL GNP 0.000000002366 0.69904 10.3053
455 2C5L GTP 0.0000000005924 0.52571 10.4046
456 1MR3 G3D 0.000000000009222 0.86033 10.4972
457 4V03 ADP 0.000005097 0.5027 10.5058
458 4K81 GTP 0.0000000005029 0.81483 10.5263
459 4ZI2 GNP 0.00000000001434 0.61524 10.5263
460 4GOJ GNP 0.00000000001705 0.87422 10.582
461 2XAU ADP 0.00003101 0.54006 10.6061
462 5LTJ ADP 0.00004745 0.47695 10.6061
463 5O2T GSP 0.0000000007499 0.52355 10.6509
464 1X1R GDP 0.0000000005283 0.52374 10.6742
465 1WWZ ACO 0.0245 0.41291 10.6918
466 4KVG GTP 0.0000000005107 0.80846 10.7143
467 1S8F GDP 0.0000000002366 0.52492 10.7345
468 2BME GNP 0.0000000003143 0.81942 10.7527
469 4NON GDP 0.000000002319 0.50012 10.7692
470 2UZI GTP 0.0000000006826 0.80191 10.8434
471 4KFU ACP 0.00001346 0.52893 10.8491
472 4GOX A3P 0.00003391 0.4196 10.8626
473 1M7G ADX 0.00001293 0.58937 10.9005
474 1M7G AV2 0.000001911 0.58937 10.9005
475 1M7G ADP 0.00001625 0.58042 10.9005
476 3IO3 ADP 0.000002829 0.60111 10.9091
477 2Y65 ADP 0.000002605 0.54214 10.9091
478 2HV8 GTP 0.0000000001727 0.83294 10.9375
479 1L3I SAH 0.03221 0.40398 10.9375
480 4HUT ATP 0.01806 0.42124 10.9948
481 1F6B GDP 0.0000000004453 0.77691 11.1111
482 1YZG GDP 0.0000000001362 0.8024 11.1732
483 2D2F ADP 0.00008391 0.4461 11.2
484 3L9W GSH 0.02255 0.41609 11.2121
485 3L9W AMP 0.04172 0.40405 11.2121
486 3TKL GTP 0.0000000002497 0.55782 11.2245
487 1NRJ GTP 0.0000002788 0.65524 11.3924
488 5UFQ GNP 0.0000000004284 0.54047 11.4754
489 3UIE ANP 0.000002655 0.51357 11.5
490 2W83 GTP 0.000000001539 0.55473 11.5152
491 2OFW ADX 0.00003136 0.57989 11.5385
492 3A1S GDP 0.000000004242 0.6457 11.6279
493 3N5C GDP 0.00000000008486 0.73707 11.7284
494 1R4A GNP 0.00000000005188 0.85668 11.7647
495 1ZJ6 G3D 0.0000000001196 0.70609 11.7647
496 2V7Q ATP 0.000004845 0.50226 12.1212
497 2V7Q ADP 0.00006999 0.48268 12.1212
498 1AQU A3P 0.002494 0.44951 12.1212
499 3ZJ0 ACO 0.01785 0.41611 12.1359
500 3SFV GDP 0.00000000009785 0.83151 12.1547
501 3DOE GTP 0.000000000133 0.83207 12.5
502 1NN5 ANP 0.00006168 0.55341 12.5581
503 1NN5 2DT 0.01976 0.44637 12.5581
504 5UWT GNP 0.000000005615 0.75717 12.5874
505 5UWQ GNP 0.000000003003 0.51255 12.5874
506 5UWO GNP 0.000000003466 0.51157 12.5874
507 5DIF GNP 0.00000000362 0.51105 12.5874
508 5UWW GNP 0.000000003754 0.5108 12.5874
509 5UWU GNP 0.000000004032 0.51011 12.5874
510 5UWI GNP 0.000000004031 0.5099 12.5874
511 5UWR GNP 0.000000004099 0.5098 12.5874
512 5DHF GNP 0.00000000401 0.50963 12.5874
513 5UWH GNP 0.0000000043 0.50928 12.5874
514 5UWJ GNP 0.000000004758 0.50866 12.5874
515 5UWP GNP 0.000000003597 0.50139 12.5874
516 5UWS GNP 0.0000000046 0.49947 12.5874
517 5DI9 GNP 0.00000000704 0.49608 12.5874
518 1OE0 TTP 0.002914 0.45879 12.6087
519 2J59 GTP 0.000000001122 0.55688 12.6506
520 1O3Y GTP 0.00000000126 0.55664 12.6506
521 1J2J GTP 0.000000003936 0.54167 12.6506
522 5IFS ADP 0.00004344 0.53276 12.6582
523 1FZQ GDP 0.000000000001651 0.89155 12.7072
524 1RE0 GDP 0.00000000006766 0.80666 12.8049
525 1S9D GDP 0.00000000009783 0.70946 12.8049
526 4HAT GNP 0.000000003442 0.77104 12.8571
527 1S3G AP5 0.0001372 0.54646 12.9032
528 1OFH ADP 0.0001447 0.5067 12.9032
529 5DI3 GNP 0.0000000001123 0.59384 12.973
530 2C9O ADP 0.00001544 0.44639 13.0303
531 1KUV CA5 0.04252 0.4036 13.0435
532 4TMK T5A 0.001571 0.4816 13.1455
533 4DID GDP 0.000000008194 0.6311 13.1579
534 5BQ5 ADP BEF 0.00001953 0.48334 13.2275
535 5BXQ GDP 0.00000000001583 0.8487 13.3858
536 5E95 GDP 0.0000000001106 0.63959 13.4021
537 2PEZ DAT 0.00001919 0.58202 13.4078
538 5IRC GDP 0.0000003029 0.64031 13.4328
539 2A9K GDP 0.0000000003204 0.79738 13.4529
540 1UJ2 ADP 0.00005237 0.54994 13.4921
541 1UJ2 C5P 0.00006577 0.54477 13.4921
542 3B5J 12D 0.0000813 0.50631 13.5802
543 3KTA AP5 0.00005203 0.45162 13.7363
544 4QM7 GTP 0.000005874 0.56929 14.0351
545 2G77 GDP 0.0000000002124 0.63256 14.1414
546 2D7C GTP 0.0000000004333 0.81217 14.2857
547 5L3V GDP 0.00000001833 0.59882 14.7157
548 3B9Q MLI 0.000005236 0.5732 14.9007
549 1KSH GDP 0.00000000002982 0.85785 15.0538
550 1CXZ GSP 0.00000006611 0.6902 15.1163
551 1TU3 GNP 0.0000000004176 0.813 15.1899
552 5L3R GCP 0.0000001013 0.48746 15.3584
553 3EC1 GDP 0.000000000001424 0.90052 15.4545
554 1G6O ADP 0.00002861 0.4717 15.4545
555 2HF9 GSP 0.0000003234 0.53082 15.4867
556 1J99 AND 0.01209 0.4342 15.6997
557 2IYL GDP 0.00000001727 0.63799 15.8451
558 3DEF GDP 0.00000009055 0.55502 16.0305
559 3E70 GDP 0.00000003127 0.68544 16.1585
560 1NF3 GNP 0.00000007141 0.48358 16.4062
561 1KY3 GDP 0.00000000001036 0.86793 16.4835
562 5L3W GDP 0.00000002601 0.69348 17.6471
563 5L3S GNP 0.00000008601 0.49122 18.2432
564 2A5F GTP 0.00000000105 0.78907 18.6528
565 5K2M ADP 0.0278 0.40455 18.8679
566 1ZC3 GNP 0.0000000004474 0.81452 19.469
567 3WYG GTP 0.00000001344 0.48884 19.7368
568 1VG0 GDP 0.00000000001848 0.85533 20.2899
569 1VG8 GNP 0.00000000008564 0.85201 20.2899
570 4YMU ATP 0.00002644 0.51378 20.9091
571 1F2U ATP 0.0003034 0.51011 21.4765
572 1VG1 GDP 0.00000000001057 0.8574 22.7027
573 1VG9 GDP 0.00000000001945 0.84428 22.7027
574 3TO7 COA 0.01942 0.41418 22.8261
575 5M04 GDP 0.00000000000683 0.8131 23.3333
576 2DT9 THR 0.009773 0.4082 24.5509
577 2OM2 GDP 0.0000000173 0.54969 25
578 1KAO GDP 0.0000000002038 0.8073 25.1497
579 4KAX GTP 0.0000000005188 0.79816 25.4438
580 1LVG ADP 0.0000004538 0.61542 25.7576
581 3MJH GTP 0.000000000644 0.53681 26.4706
582 1ZD9 GDP 0.000000005306 0.57639 26.5957
583 2PZE ATP 0.000007366 0.52281 27.0742
584 1FQK GDP 0.00000004323 0.51685 27.2109
585 3BC1 GNP 0.0000000001184 0.84146 27.6923
586 1FQJ GDP 0.000000008656 0.53134 28.5714
587 2HCJ GDP 0.000000000004858 0.8625 29.7297
588 4HI0 GDP 0.00000009363 0.52757 33.6683
589 1HTW ADP 0.0000173 0.54955 36.076
590 5H56 ADP 0.000007168 0.60107 43.5897
591 5H56 TYD 0.000007168 0.60107 43.5897
Pocket No.: 2; Query (leader) PDB : 3TK1; Ligand: GDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3tk1.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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