Receptor
PDB id Resolution Class Description Source Keywords
3EE3 2.4 Å EC: 2.7.4.6 CRYSTAL STRUCTURE OF ACANTHAMOEBA POLYPHAGA MIMIVIRUS NUCLEOSIDE DIPHOSPHATE KINASE COMPLEXED WITH CDP ACANTHAMOEBA POLYPHAGA MIMIVIRUS PHOSPHOTRANSFERASE ATP-BINDING MIMIVIRUS ATP-BINDING KINASE MAGNESIUM METAL-BINDING NUCLEOTIDE METABOLISM NUCLEOTIDE-BINDING PHOSPHOPROTEIN TRANSFERASE
Ref.: DISSECTING THE UNIQUE NUCLEOTIDE SPECIFICITY OF MIMIVIRUS NUCLEOSIDE DIPHOSPHATE KINASE. J.VIROL. V. 83 7142 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDP A:160;
C:162;
D:163;
E:164;
F:165;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
403.176 C9 H15 N3 O11 P2 C1=CN...
CDP MG B:161;
Valid;
none;
submit data
424.458 n/a [P+](...
MG A:161;
C:163;
D:164;
E:165;
F:166;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EM1 1.5 Å EC: 2.7.4.6 CRYSTAL STRUCTURE OF THE MIMIVIRUS NDK +KPN-N62L DOUBLE MUTANT COMPLEXED WITH DTDP ACANTHAMOEBA POLYPHAGA MIMIVIRUS PHOSPHOTRANSFERASE NUCLEOTIDE BINDING ATP-BINDING KINASE MAGNESIUM METAL-BINDING NUCLEOTIDE METABOLISM NUCLEOTIDE-BINDING PHOSPHOPROTEIN TRANSFERASE
Ref.: DISSECTING THE UNIQUE NUCLEOTIDE SPECIFICITY OF MIMIVIRUS NUCLEOSIDE DIPHOSPHATE KINASE. J.VIROL. V. 83 7142 2009
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
3 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
7 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
8 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
10 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
11 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
13 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
15 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
17 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
18 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
20 3EE3 - CDP MG n/a n/a
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
3 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
7 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
8 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
9 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
10 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
11 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
12 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
13 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
15 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
17 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
18 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
20 3EE3 - CDP MG n/a n/a
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
14 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
15 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
22 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
23 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
24 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
25 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
27 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
29 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
30 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
31 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
32 3EE3 - CDP MG n/a n/a
33 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3Q86 - GTP MG n/a n/a
35 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
38 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
40 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
42 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
43 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
45 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
46 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDP; Similar ligands found: 89
No: Ligand ECFP6 Tc MDL keys Tc
1 CDP 1 1
2 CTP 0.895522 1
3 C5P 0.787879 0.985507
4 CAR 0.787879 0.985507
5 C 0.787879 0.985507
6 7XL 0.77027 0.944444
7 C2G 0.74026 0.957747
8 CDC 0.725 0.82716
9 CDP MG 0.712329 0.90411
10 C5G 0.707317 0.944444
11 CDM 0.695122 0.894737
12 CXY 0.678571 0.944444
13 CTN 0.636364 0.857143
14 AR3 0.636364 0.857143
15 1AA 0.619565 0.906667
16 C C 0.607143 0.929577
17 UDP 0.605263 0.942029
18 I5A 0.602941 0.816901
19 YYY 0.582278 0.90411
20 GCQ 0.560976 0.90411
21 C3P 0.56 0.942857
22 MCN 0.557692 0.819277
23 PMT 0.554455 0.85
24 91P 0.553398 0.851852
25 UTP 0.54321 0.942029
26 2AA 0.542857 0.693878
27 16B 0.538462 0.917808
28 CSV 0.536842 0.905405
29 CSQ 0.536842 0.905405
30 DCP 0.535714 0.90411
31 C2P 0.519481 0.957143
32 PCD 0.517857 0.781609
33 FN5 0.509434 0.871795
34 GPC 0.509091 0.819277
35 CSF 0.504587 0.871795
36 DKZ 0.5 0.746667
37 UNP 0.488372 0.915493
38 TKW 0.4875 0.971429
39 G C 0.481818 0.8375
40 5GW 0.477778 0.890411
41 5HM 0.47561 0.958333
42 DC 0.463415 0.890411
43 DCM 0.463415 0.890411
44 U A C C 0.452174 0.846154
45 UPP 0.451613 0.888889
46 UDH 0.451613 0.844156
47 G8D 0.450549 0.907895
48 U5P 0.45 0.927536
49 C5P SIA 0.447368 0.893333
50 UPG 0.446809 0.888889
51 GUD 0.446809 0.888889
52 GDU 0.446809 0.888889
53 660 0.446809 0.876712
54 URM 0.446809 0.876712
55 UFM 0.446809 0.888889
56 8OD 0.445652 0.855263
57 G G G C 0.444444 0.85
58 UPU 0.444444 0.887324
59 4GW 0.443299 0.866667
60 A G C C 0.440678 0.848101
61 DOC 0.439024 0.890411
62 M7G 0.43617 0.829268
63 U2F 0.43299 0.842105
64 UFG 0.43299 0.842105
65 UPF 0.43299 0.842105
66 2KH 0.431818 0.915493
67 G C C C 0.42623 0.860759
68 CG2 0.421053 0.873418
69 A U C C 0.420635 0.835443
70 G3N 0.42 0.890411
71 UDP UDP 0.418605 0.885714
72 UDX 0.418367 0.888889
73 UAD 0.418367 0.888889
74 44P 0.416667 0.902778
75 3UC 0.415842 0.842105
76 M7M 0.412371 0.797619
77 8GT 0.410526 0.907895
78 V12 0.41 0.75
79 UGB 0.41 0.901408
80 USQ 0.41 0.780488
81 UGA 0.41 0.901408
82 DCP MG 0.408602 0.818182
83 UP5 0.405405 0.857143
84 GEO 0.405063 0.783784
85 CH 0.404762 0.942857
86 UDM 0.403846 0.864865
87 H6Y 0.402062 0.855263
88 NVG 0.401961 0.731707
89 CTP C C C C 0.4 0.915493
Ligand no: 2; Ligand: CDP MG; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 CDP MG 1 1
2 C 0.724638 0.916667
3 CAR 0.724638 0.916667
4 C5P 0.724638 0.916667
5 CDP 0.712329 0.90411
6 C C 0.679012 0.943662
7 CTP 0.662338 0.90411
8 CDC 0.654762 0.817073
9 7XL 0.62963 0.88
10 C2G 0.607143 0.891892
11 UDP UDP 0.597403 0.9
12 AR3 0.57971 0.819444
13 CTN 0.57971 0.819444
14 CXY 0.577778 0.88
15 CDM 0.573034 0.835443
16 I5A 0.571429 0.805556
17 C5G 0.566667 0.88
18 G C 0.518519 0.82716
19 DCP MG 0.517241 0.905405
20 1AA 0.515152 0.846154
21 CSV 0.5 0.868421
22 CSQ 0.5 0.868421
23 C5P SIA 0.495495 0.881579
24 16B 0.493827 0.855263
25 C3P 0.493671 0.876712
26 CTP C C C C 0.490385 0.902778
27 U A C C 0.486726 0.858974
28 MCN 0.481818 0.767442
29 G G G C 0.478261 0.817073
30 FN5 0.477064 0.814815
31 91P 0.477064 0.797619
32 PMT 0.476636 0.795181
33 A G C C 0.474138 0.8375
34 G C C C 0.458333 0.82716
35 C2P 0.45679 0.864865
36 DKZ 0.455696 0.714286
37 2AA 0.455357 0.653465
38 A U C C 0.451613 0.848101
39 CSF 0.434783 0.814815
40 TKW 0.428571 0.90411
41 UDP GAL 0.428571 0.851351
42 GPC 0.42735 0.767442
43 PCD 0.425 0.752809
44 5HM 0.418605 0.868421
45 CH 0.416667 0.929577
46 DOC 0.416667 0.828947
47 YYY 0.41573 0.818182
48 UDP 0.413793 0.849315
49 U5P 0.409639 0.861111
50 DC 0.406977 0.828947
51 DCM 0.406977 0.828947
52 V12 0.405941 0.719512
53 U U 0.40404 0.863014
54 GCQ 0.402174 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EM1; Ligand: TYD; Similar sites found: 267
This union binding pocket(no: 1) in the query (biounit: 3em1.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1C1L GAL BGC 0.0003292 0.49507 None
2 1Z6K OAA 0.00004151 0.49133 None
3 1SS4 CIT 0.008023 0.48658 None
4 1UO5 PIH 0.006644 0.46565 None
5 4DN8 BMA 0.0009938 0.46488 None
6 4Q3F TLA 0.001033 0.46411 None
7 3K3G MMU 0.001158 0.45175 None
8 1GU3 BGC BGC BGC BGC BGC 0.001179 0.4483 None
9 3S9K CIT 0.0157 0.44459 None
10 1UFY MLI 0.002838 0.44415 None
11 1UW1 ADP 0.002737 0.43858 None
12 3TA2 AKG 0.0001683 0.43109 None
13 1XX4 BAM 0.005084 0.42399 None
14 1MZV AMP 0.002548 0.42351 None
15 1NXJ TLA 0.001072 0.42142 None
16 1NXJ GLV 0.00384 0.42128 None
17 1PTR PRB 0.0166 0.41467 None
18 1JCM 137 0.00006907 0.41232 None
19 4PNO U5P 0.003946 0.40703 None
20 1O6B ADP 0.003461 0.40628 None
21 1YRX FMN 0.003649 0.4042 None
22 1ECM TSA 0.01215 0.40064 None
23 2HFK E4H 0.001315 0.44628 1.36986
24 1FX8 BOG 0.003083 0.4029 1.36986
25 2WCV FUC 0.006643 0.41147 1.42857
26 1H8P PC 0.04024 0.40751 1.83486
27 1ULE GLA GAL NAG 0.001443 0.47282 2.05479
28 3ZPG 5GP 0.00849 0.44233 2.05479
29 3Q3C NAD 0.003571 0.41186 2.05479
30 1EB9 HBA 0.004733 0.40828 2.05479
31 2Q37 3AL 0.01359 0.40793 2.05479
32 2ZE3 AKG 0.01517 0.40581 2.05479
33 3FPZ AHZ 0.01568 0.40274 2.05479
34 2QES ADE 0.01812 0.40105 2.05479
35 1JGS SAL 0.001562 0.50083 2.17391
36 1QD0 RR6 0.002605 0.41834 2.34375
37 3RF4 FUN 0.002428 0.43497 2.58621
38 1A5Z OXM 0.0004109 0.49954 2.73973
39 1RYI GOA 0.01091 0.45664 2.73973
40 1Y1A GSH 0.04227 0.41821 2.73973
41 4LIT AKG 0.01004 0.41373 2.73973
42 3GM5 CIT 0.01419 0.41227 2.73973
43 2X2T GAL NGA 0.04097 0.4071 2.73973
44 3CL7 HYN 0.0008906 0.40159 2.73973
45 3BY8 MLT 0.01864 0.41227 2.8169
46 2GJ3 FAD 0.001025 0.40832 3.33333
47 3TKA CTN 0.0005791 0.53405 3.42466
48 2ZO9 MLI 0.0002606 0.45999 3.42466
49 1ZZ7 S0H 0.001907 0.43943 3.42466
50 5D6C 57S 0.01335 0.43597 3.42466
51 1YOE RIB 0.0001499 0.43268 3.42466
52 1FWE HAE 0.003837 0.4213 3.42466
53 3BHO B4P 0.03264 0.41901 3.42466
54 1T3D CYS 0.01595 0.41549 3.42466
55 1ML4 PAL 0.0007095 0.41502 3.42466
56 3GJB AKG 0.005682 0.41427 3.42466
57 3SCH TB6 0.01861 0.40688 3.42466
58 1FS5 16G 0.001967 0.40588 3.42466
59 1Y42 TYR 0.01258 0.40454 3.42466
60 2B7N NTM 0.01644 0.40427 3.42466
61 4DYO SD4 0.01112 0.40222 3.42466
62 4Q3S X7A 0.0004004 0.40388 3.63636
63 3NOJ PYR 0.0001108 0.49576 4.10959
64 2XI7 XI7 0.005025 0.47244 4.10959
65 1SC3 MLI 0.00731 0.43825 4.10959
66 4MOB ADP 0.0005737 0.43121 4.10959
67 2X61 NGA GAL SIA 0.00125 0.4311 4.10959
68 4MWV BCZ 0.0003894 0.43068 4.10959
69 2X61 CH 0.0004854 0.42991 4.10959
70 1G8S MET 0.009099 0.4211 4.10959
71 1FBL HTA 0.002994 0.42072 4.10959
72 3PMA SCR 0.006219 0.41759 4.10959
73 1B4P GPS 0.001229 0.41296 4.10959
74 4IHQ ADP 0.009536 0.40499 4.10959
75 3CXO 1N5 0.001452 0.40416 4.10959
76 4USS GSH 0.01307 0.40383 4.10959
77 2W8Q SIN 0.001896 0.40263 4.10959
78 2AEB ABH 0.002403 0.40033 4.10959
79 1H8G CHT 0.04485 0.41884 4.21053
80 2OFD NGA 0.01442 0.41196 4.22535
81 2OFE NAG 0.01666 0.40908 4.22535
82 1TUV VK3 0.03632 0.40982 4.38596
83 3PHQ KDO 0.0008101 0.52933 4.79452
84 2ZWS PLM 0.002105 0.49358 4.79452
85 1O7N IND 0.00003585 0.45075 4.79452
86 4N69 SER 0.003017 0.44294 4.79452
87 3H86 AP5 0.0005475 0.4408 4.79452
88 5DRN 5CT 0.01149 0.43939 4.79452
89 2YYJ FAD 0.001857 0.43828 4.79452
90 2YYJ 4HP 0.001857 0.43828 4.79452
91 3PAK MAN 0.00001354 0.43122 4.79452
92 1Y7P RIP 0.01138 0.42879 4.79452
93 3IB9 BTN 0.0125 0.42359 4.79452
94 4N02 FNR 0.001686 0.42326 4.79452
95 1F8F NAD 0.002542 0.41863 4.79452
96 5DSC GLY 5CT GLY SER GLY 0.01222 0.41806 4.79452
97 3EJ0 11X 0.006997 0.41798 4.79452
98 1RY2 AMP 0.0005377 0.41014 4.79452
99 1GJW GLC 0.02259 0.4083 4.79452
100 3DGB MUC 0.006887 0.40196 4.79452
101 1RZM PEP 0.01534 0.40086 4.79452
102 1HFA PIO 0.0001312 0.55532 5.47945
103 3VCA PRO 0.002939 0.43428 5.47945
104 4M7F BM3 0.003062 0.43068 5.47945
105 1RYD GLC 0.005638 0.43058 5.47945
106 1ZFJ IMP 0.004399 0.43039 5.47945
107 3FS8 TDR 0.002659 0.42928 5.47945
108 2IMP NAI 0.003406 0.42736 5.47945
109 1MG1 MAL 0.00009651 0.42451 5.47945
110 4TMK T5A 0.009185 0.42285 5.47945
111 2NLI LAC 0.001691 0.42151 5.47945
112 2NLI FMN 0.001691 0.42151 5.47945
113 4W6Z ETF 0.02349 0.41962 5.47945
114 1H16 PYR 0.01836 0.41855 5.47945
115 1Y9Q MED 0.01582 0.41012 5.47945
116 1GPJ CIT 0.0159 0.41002 5.47945
117 2BLE 5GP 0.005648 0.40932 5.47945
118 3PNA CMP 0.009644 0.40478 5.47945
119 2F2U M77 0.008321 0.40296 5.47945
120 3IHB GLU 0.02971 0.40262 5.47945
121 4F8L GAL 0.003523 0.48108 5.51724
122 1A8S PPI 0.00005107 0.48779 6.16438
123 3F81 STT 0.002693 0.46782 6.16438
124 1JA9 NDP 0.0008771 0.444 6.16438
125 1LTH NAD 0.0005041 0.44161 6.16438
126 4N7C AEF 0.004818 0.44011 6.16438
127 4B16 NAG 0.01427 0.43837 6.16438
128 1QJC PNS 0.001202 0.42884 6.16438
129 3VPQ GSH 0.009394 0.41501 6.16438
130 5DUB GLY 5GG GLY ALA 0.02858 0.41204 6.16438
131 1R6W 164 0.002563 0.40981 6.16438
132 1Q3Q ANP 0.005642 0.40791 6.16438
133 3PMD 11A 0.006404 0.40752 6.16438
134 3CEV ARG 0.008475 0.4071 6.16438
135 5DS8 GLY 5CT GLY ALA 0.036 0.40404 6.16438
136 1I2B NAD 0.041 0.40055 6.16438
137 1I2B UPG 0.041 0.40055 6.16438
138 1I2B USQ 0.041 0.40055 6.16438
139 2E1A MSE 0.004899 0.41692 6.66667
140 1JAC AMG 0.02874 0.42201 6.76692
141 1XE7 GUN 0.004971 0.45422 6.84932
142 1OTH PAO 0.00005257 0.45214 6.84932
143 1ZED PNP 0.004846 0.43999 6.84932
144 2GWD GLU 0.001359 0.43985 6.84932
145 1DXY COI 0.01087 0.43682 6.84932
146 2VJJ RAM GLC GAL NAG NAG GLC 0.0006311 0.43592 6.84932
147 3LTW HLZ 0.005354 0.4316 6.84932
148 1GSA ADP 0.001503 0.4215 6.84932
149 1GSA GSH 0.001307 0.41768 6.84932
150 2EB5 OXL 0.01151 0.41644 6.84932
151 2JC9 ADN 0.009012 0.41073 6.84932
152 1T0I FMN 0.001777 0.40741 6.84932
153 4C0C WVH 0.003808 0.40486 6.84932
154 2P41 G1G 0.009722 0.40464 6.84932
155 1YBH P22 0.009665 0.40036 6.84932
156 2HMT NAI 0.003675 0.40808 6.94444
157 3SJ0 DXC 0.01122 0.42274 7.04225
158 1JOT GAL A2G 0.003925 0.41601 7.5188
159 2BZ1 TAU 0.001798 0.49742 7.53425
160 1WHT BZS 0.0003284 0.48674 7.53425
161 1V5F TPP 0.0009497 0.47118 7.53425
162 1V5F FAD 0.0009497 0.47118 7.53425
163 4OYA 1VE 0.0006982 0.46182 7.53425
164 3E81 SLB 0.004099 0.43087 7.53425
165 3U1T MLI 0.009643 0.42586 7.53425
166 2BGM NAJ 0.002128 0.42292 7.53425
167 1I0Z OXM 0.02232 0.42076 7.53425
168 1NVU GTP 0.003269 0.41479 7.53425
169 2VAR AMP 0.004464 0.41378 7.53425
170 3A1I UNU 0.005225 0.41105 7.53425
171 2Q8H TF4 0.04698 0.404 7.53425
172 1EDO NAP 0.01327 0.40102 7.53425
173 2V5E SCR 0.0131 0.44036 7.92079
174 2BOI MFU 0.008338 0.41217 7.9646
175 1Z44 NPO 0.0004143 0.53304 8.21918
176 4CMF PXG 0.0002477 0.4505 8.21918
177 1Z42 HBA 0.02238 0.43911 8.21918
178 3D2Y AH0 ALA FGA LYS 0.0002189 0.4389 8.21918
179 1OMZ UD2 0.0003745 0.4382 8.21918
180 1W55 C 0.0005493 0.43659 8.21918
181 1C7S CBS 0.0009559 0.4352 8.21918
182 1SSQ CYS 0.001027 0.42578 8.21918
183 4QDF 30Q 0.0000561 0.42103 8.21918
184 1G6O ADP 0.000233 0.41073 8.21918
185 2Z9V PXM 0.01019 0.40846 8.21918
186 3W8S GSH 0.01345 0.40813 8.21918
187 1B5E DCM 0.009 0.40602 8.21918
188 1SJW NGV 0.004654 0.40033 8.33333
189 1T26 GBD 0.000112 0.48983 8.38509
190 1T26 NAI 0.000112 0.48983 8.38509
191 2HVK TBA 0.001498 0.45677 8.90411
192 3I8T LBT 0.001471 0.44422 8.90411
193 1O9U ADZ 0.009553 0.4397 8.90411
194 1V6A TRE 0.003096 0.43623 8.90411
195 4LHM AZZ 0.008382 0.41719 8.90411
196 2NVK NAP 0.00669 0.41624 8.90411
197 1P72 THM 0.009771 0.40923 8.90411
198 4CCO OGA 0.01084 0.4073 8.90411
199 3KU0 ADE 0.01576 0.4044 8.90411
200 3IJH KO2 0.02097 0.402 8.90411
201 3OIG NAD 0.004686 0.41221 9.02256
202 4LO6 SIA GAL 0.001853 0.4635 9.58904
203 4GQB 0XU 0.001575 0.42431 9.58904
204 3I51 45C 0.004 0.41112 9.58904
205 2Q3M MLA 0.04026 0.40749 9.58904
206 1QW9 KHP 0.0003432 0.40651 9.58904
207 3FN0 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.02086 0.40461 9.58904
208 2YIV YIV 0.04291 0.40023 9.58904
209 3QDY CBS 0.007089 0.43218 9.79021
210 3QDW A2G 0.03428 0.41112 9.79021
211 3QDW NDG 0.02358 0.40742 9.79021
212 3QDT A2G GAL 0.03437 0.40504 9.79021
213 3B9Z CO2 0.0001478 0.50249 10.274
214 3ZGE ASP 0.001231 0.4762 10.274
215 1KC7 PPR 0.01163 0.422 10.274
216 1XMV ADP 0.001749 0.42186 10.274
217 4HZX G39 0.0008808 0.42125 10.274
218 3NFZ 3NF 0.002264 0.4207 10.274
219 1D3V ABH 0.0005085 0.4109 10.274
220 5EQU AKG 0.02929 0.4085 10.274
221 3WCS MAN NAG 0.01267 0.40441 10.274
222 3JQ3 ADP 0.007692 0.40433 10.274
223 1BTN I3P 0.008322 0.46666 10.3774
224 1DUC DUD 0.001755 0.40192 10.4478
225 2XDQ MGX 0.03593 0.41006 10.9589
226 4WBD ADP 0.0283 0.40363 10.9589
227 2VKL MLT 0.04007 0.41418 11.1111
228 2FGQ MLT 0.000871 0.46748 11.6438
229 1A5V Y3 0.003917 0.43173 11.6438
230 4C2G ALA ALA ALA ALA 0.004553 0.41823 11.6438
231 2H6B 3C4 0.001209 0.43 12.3288
232 4RJK PYR 0.01247 0.42683 12.3288
233 1D09 PAL 0.007288 0.42552 12.3288
234 1M1B SPV 0.00938 0.41504 12.3288
235 2VQ5 LDP 0.01899 0.42438 12.9353
236 2VQ5 HBA 0.01814 0.41284 12.9353
237 1H2K OGA 0.001464 0.45722 13.0137
238 3L24 GOA 0.005232 0.45309 13.0137
239 3P3N AKG 0.001893 0.45216 13.0137
240 1H2M OGA 0.002067 0.45041 13.0137
241 4B7E OGA 0.002172 0.443 13.0137
242 1Y0L HAN 0.01266 0.44116 13.0137
243 2Y0I AKG 0.002559 0.43986 13.0137
244 1LDM OXM 0.003158 0.41979 13.0137
245 9LDT OXM 0.01391 0.43897 13.6986
246 9LDB OXM 0.01681 0.43456 13.6986
247 4NTX AMR 0.0002746 0.47874 14.3836
248 1NP0 NGT 0.002556 0.44622 14.3836
249 3SHR CMP 0.003796 0.4166 14.3836
250 1WRA PC 0.005305 0.43813 15.0685
251 2FWP CIT 0.0001871 0.43279 15.0685
252 3W54 RNB 0.001721 0.4206 15.0685
253 2JBH 5GP 0.007798 0.4086 15.0685
254 1T0S BML 0.01837 0.40675 17.1233
255 2VDJ HSE 0.0005983 0.49155 17.8082
256 3SQG COM 0.01989 0.43062 19.863
257 3MAG 3MA 0.0287 0.42204 19.863
258 4HA6 PXM 0.01777 0.40278 19.863
259 4NPT 017 0.003003 0.42066 20.202
260 4K30 NLG 0.008386 0.40283 20.5479
261 4M5P 23W 0.013 0.42594 21.2329
262 4M5P MLA 0.04019 0.41411 21.2329
263 4IVG ANP 0.004406 0.40704 21.2329
264 1TV5 A26 0.0001685 0.42921 21.9178
265 1TV5 N8E 0.0004219 0.42904 21.9178
266 4I9A NCN 0.00009608 0.40037 23.2877
267 1NF8 ISC 0.004192 0.41033 29.4521
Pocket No.: 2; Query (leader) PDB : 3EM1; Ligand: TYD; 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: 3em1.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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