Receptor
PDB id Resolution Class Description Source Keywords
4RXS 2.2 Å EC: 3.1.5.- THE STRUCTURE OF GTP-DTTP-BOUND SAMHD1 HOMO SAPIENS HD-DOMAIN HYDROLASE DNTP AND GTP BINDING PHOSPHORYLATION
Ref.: THE MECHANISM OF SUBSTRATE-CONTROLLED ALLOSTERIC RE OF SAMHD1 ACTIVATED BY GTP. ACTA CRYSTALLOGR.,SECT.D V. 71 516 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TTP A:802;
B:703;
B:702;
A:803;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
482.168 C10 H17 N2 O14 P3 CC1=C...
GTP A:801;
A:804;
Valid;
Valid;
none;
none;
submit data
523.18 C10 H16 N5 O14 P3 c1nc2...
MG A:805;
B:701;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MZ7 1.8 Å EC: 3.1.5.- STRUCTURAL INSIGHT INTO DGTP-DEPENDENT ACTIVATION OF TETRAME DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE HOMO SAPIENS HD-DOMAIN HYDROLASE DNTP BINDING PHOSPHORYLATION
Ref.: STRUCTURAL INSIGHT INTO DGTP-DEPENDENT ACTIVATION O TETRAMERIC SAMHD1 DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE NAT COMMUN V. 4 2722 2013
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
6 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
10 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
11 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
16 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
17 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
18 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
22 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
6 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
10 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
11 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
16 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
17 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
18 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
22 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4QFX - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 4BZB - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
3 4TO6 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
4 4RXQ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4QFY - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
6 4MZ7 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
7 4TNX - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 4RXP - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
9 4QG4 - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
10 4TO4 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
11 4ZWG - DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
12 4TNZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 4RXR - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 4RXS - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
15 4TO2 - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
16 4TO3 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
17 4QG0 - DGT C10 H16 N5 O13 P3 c1nc2c(n1[....
18 4TO0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
19 4QG2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
20 4QG1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
21 4TNP - DCP C9 H16 N3 O13 P3 C1[C@@H]([....
22 4QFZ - TTP C10 H17 N2 O14 P3 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TTP; Similar ligands found: 78
No: Ligand ECFP6 Tc MDL keys Tc
1 TTP 1 1
2 TYD 0.884058 1
3 TMP 0.760563 0.985714
4 TLO 0.722892 0.945205
5 DAU 0.701149 0.932432
6 TRH 0.689655 0.932432
7 1JB 0.689655 0.932432
8 18T 0.689655 0.932432
9 3R2 0.689655 0.92
10 TDX 0.689655 0.945205
11 T3Q 0.674157 0.907895
12 T3F 0.674157 0.907895
13 DWN 0.674157 0.907895
14 3YN 0.674157 0.932432
15 T46 0.666667 0.932432
16 0N2 0.666667 0.896104
17 MMF 0.659341 0.907895
18 0FX 0.659341 0.907895
19 QDM 0.645161 0.896104
20 FNF 0.638298 0.92
21 1YF 0.638298 0.92
22 JHZ 0.638298 0.884615
23 AKM 0.638298 0.886076
24 4TG 0.631579 0.92
25 D3T 0.62963 0.971831
26 TBD 0.62963 0.958904
27 DUT 0.62963 0.957143
28 T5A 0.61165 0.841463
29 LLT 0.605634 0.873239
30 THM 0.605634 0.873239
31 ATY 0.6 0.945205
32 QUH 0.588235 0.907895
33 FUH 0.588235 0.907895
34 AZD 0.586207 0.907895
35 UFP 0.56962 0.905405
36 0DN 0.567568 0.833333
37 DCP 0.55814 0.891892
38 5HU 0.54321 0.971831
39 BRU 0.54321 0.905405
40 DUD 0.542169 0.957143
41 DT DT DT DT DT 0.541667 0.945205
42 DT DT PST 0.540816 0.881579
43 5IU 0.536585 0.905405
44 FDM 0.536585 0.918919
45 NYM 0.536585 0.958333
46 ABT 0.531915 0.884615
47 T3P 0.531646 0.943662
48 THP 0.53012 0.971429
49 D4T 0.528736 0.928571
50 6U4 0.521277 0.848101
51 ATM 0.517241 0.894737
52 TQP 0.512605 0.864198
53 7SG 0.512605 0.864198
54 TXS 0.512195 0.789474
55 TPE 0.510204 0.894737
56 T4K 0.508333 0.853659
57 T5K 0.508333 0.853659
58 BVP 0.5 0.944444
59 T3S 0.5 0.789474
60 8DG 0.489583 0.829268
61 YYY 0.477273 0.891892
62 2DT 0.47561 0.957747
63 DT DT DT 0.473118 0.878378
64 4TA 0.469565 0.807229
65 DT ME6 DT 0.468468 0.87013
66 D4D 0.449438 0.928571
67 DU 0.447059 0.942857
68 UMP 0.447059 0.942857
69 AZZ 0.447059 0.779221
70 DUP 0.430108 0.930556
71 UTP 0.428571 0.875
72 8DD 0.424242 0.8125
73 WMJ 0.42 0.761905
74 DDN 0.418605 0.942857
75 8GD 0.418367 0.829268
76 DGT 0.415842 0.759036
77 UC5 0.406593 0.943662
78 ID2 0.402439 0.8
Ligand no: 2; Ligand: GTP; Similar ligands found: 147
No: Ligand ECFP6 Tc MDL keys Tc
1 GTP 1 1
2 GP3 0.921053 0.973684
3 GDP 0.909091 1
4 GSP 0.853659 0.948718
5 GNH 0.82716 0.986667
6 G1R 0.819277 0.986667
7 GAV 0.811765 0.961039
8 GNP 0.809524 0.973684
9 GCP 0.797619 0.973684
10 5GP 0.797468 0.986486
11 G 0.797468 0.986486
12 GMV 0.764706 0.973684
13 G2R 0.764045 0.961039
14 G5P 0.755319 0.973684
15 GTG 0.752688 0.936709
16 G2P 0.747126 0.961039
17 G3A 0.744681 0.973684
18 GDD 0.741935 0.961039
19 GKE 0.741935 0.961039
20 GDC 0.741935 0.961039
21 0O2 0.736264 0.986486
22 GP2 0.729412 0.961039
23 6CK 0.726316 0.936709
24 Y9Z 0.723404 0.902439
25 GPG 0.717391 0.961039
26 GFB 0.715789 0.961039
27 GDR 0.715789 0.961039
28 GDP MG 0.712644 0.923077
29 GDP BEF 0.704545 0.9
30 GPD 0.704082 0.925
31 JB2 0.693878 0.961039
32 GKD 0.693878 0.961039
33 GCP G 0.692308 0.935065
34 GDX 0.686869 0.973684
35 ALF 5GP 0.685393 0.888889
36 GTP MG 0.681319 0.923077
37 BEF GDP 0.681319 0.888889
38 GH3 0.681319 0.973333
39 YGP 0.677083 0.901235
40 G3D 0.67033 0.986486
41 GDP AF3 0.659574 0.888889
42 GDP ALF 0.659574 0.888889
43 DGT 0.659341 0.923077
44 GMP 0.658228 0.88
45 G4P 0.655914 0.986486
46 JB3 0.653846 0.948718
47 NGD 0.647619 0.961039
48 CAG 0.642202 0.880952
49 2MD 0.62963 0.891566
50 G G 0.622449 0.935065
51 MGP 0.619565 0.961039
52 U2G 0.616822 0.936709
53 6G0 0.612903 0.961039
54 MGD 0.612613 0.891566
55 TPG 0.608696 0.840909
56 CG2 0.605505 0.936709
57 GDP 7MG 0.601942 0.911392
58 FEG 0.601852 0.879518
59 ZGP 0.59633 0.869048
60 MD1 0.591304 0.891566
61 PGD 0.591304 0.925
62 3GP 0.590909 0.946667
63 GPX 0.581633 0.946667
64 DGI 0.580645 0.923077
65 IDP 0.576087 0.972973
66 DBG 0.567797 0.948718
67 FE9 0.555556 0.776596
68 2GP 0.555556 0.96
69 G4M 0.547619 0.880952
70 BGO 0.544643 0.924051
71 I2C FE2 CMO CMO 0.538462 0.808989
72 ATP 0.537634 0.92
73 G1G 0.533898 0.925
74 AQP 0.531915 0.92
75 5FA 0.531915 0.92
76 G A A A 0.525862 0.923077
77 U A G G 0.521368 0.935065
78 01G 0.518868 0.902439
79 ITT 0.510638 0.868421
80 P2G 0.510638 0.883117
81 GGM 0.504274 0.901235
82 G1R G1R 0.504065 0.924051
83 DGP 0.5 0.910256
84 PGD O 0.5 0.850575
85 MGO 0.5 0.864198
86 P1G 0.5 0.871795
87 DG 0.5 0.910256
88 GTA 0.495495 0.936709
89 B4P 0.489362 0.894737
90 AP5 0.489362 0.894737
91 IMP 0.489362 0.959459
92 7DT 0.484536 0.906667
93 G G U 0.482143 0.935065
94 GPC 0.479339 0.879518
95 G C 0.478992 0.9
96 BA3 0.478723 0.894737
97 ADP 0.473684 0.92
98 G2Q 0.471698 0.961039
99 G7M 0.46875 0.948052
100 25L 0.458716 0.907895
101 A2D 0.457447 0.894737
102 RGT 0.45045 0.909091
103 AGS 0.45 0.873418
104 SAP 0.45 0.873418
105 SGP 0.44898 0.82716
106 U G A 0.448529 0.888889
107 A4P 0.445378 0.869048
108 G G G RPC 0.442623 0.875
109 ACQ 0.441176 0.896104
110 ANP 0.441176 0.896104
111 8GT 0.441176 0.875
112 APC G U 0.44 0.886076
113 G U34 0.438017 0.888889
114 6AD 0.436893 0.841463
115 G G G C 0.433071 0.9125
116 UP5 0.432203 0.873418
117 35G 0.431373 0.933333
118 C2E 0.431373 0.921053
119 PCG 0.431373 0.933333
120 A G C C 0.429688 0.911392
121 5GP 5GP 0.427184 0.883117
122 TAT 0.427184 0.884615
123 APR 0.425743 0.894737
124 AR6 0.425743 0.894737
125 AN2 0.424242 0.907895
126 7DD 0.424242 0.906667
127 DG DG 0.423423 0.865854
128 AD9 0.421569 0.896104
129 M33 0.42 0.883117
130 7D4 0.42 0.835443
131 UCG 0.419847 0.911392
132 H6Y 0.419048 0.946667
133 G C C C 0.416667 0.924051
134 ACP 0.415842 0.896104
135 T5A 0.414634 0.802326
136 MGQ 0.412844 0.935897
137 ADQ 0.412844 0.871795
138 A1R 0.412844 0.839506
139 MGT 0.411215 0.823529
140 A G U 0.410072 0.888889
141 93A 0.41 0.833333
142 A22 0.407407 0.907895
143 CA0 0.405941 0.896104
144 ATF 0.40566 0.884615
145 AGO 0.404762 0.888889
146 MGV 0.401786 0.890244
147 CGP 0.4 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MZ7; Ligand: DGT; Similar sites found: 223
This union binding pocket(no: 1) in the query (biounit: 4mz7.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3EW2 BTN 0.004255 0.42752 None
2 4RJK PYR 0.04329 0.40697 0.927644
3 2ZWS PLM 0.002275 0.50008 1.2987
4 2ZJ5 ADP 0.006106 0.43115 1.2987
5 2YIV NBN 0.0003856 0.50108 1.37195
6 2YIV YIV 0.03052 0.41471 1.37195
7 3BY8 MLT 0.01105 0.43067 1.40845
8 4WVH ASP HIS ASP ALA HIS ALA 0.01708 0.4019 1.50094
9 2Q3M MLA 0.01739 0.43373 1.53374
10 4M51 BEZ 0.006084 0.45007 1.63934
11 1ECM TSA 0.0131 0.40681 1.83486
12 1T10 F6P 0.01446 0.41421 1.85529
13 3QP6 HL6 0.008416 0.40237 1.88679
14 3ZF8 GDP 0.01433 0.40098 1.96721
15 4W6Z ETF 0.001662 0.48707 2.01729
16 1ZED PNP 0.03934 0.40376 2.06612
17 3GTD MLI 0.02889 0.40054 2.07469
18 3NOJ PYR 0.008469 0.42213 2.10084
19 4NAO AKG 0.007182 0.43974 2.14724
20 4UAL 3FV 0.0005689 0.43808 2.14797
21 1C1L GAL BGC 0.01568 0.42328 2.18978
22 2GWD GLU 0.00227 0.43907 2.22717
23 2PP3 LGT 0.008748 0.40172 2.26131
24 2P69 PLP 0.005963 0.43162 2.28758
25 1XX4 BAM 0.002165 0.48107 2.29885
26 1PEA ACM 0.005266 0.45322 2.33766
27 3ZGE ASP 0.002637 0.46829 2.41187
28 3TFC PEP 0.01054 0.41545 2.41187
29 4KCT PYR 0.0113 0.40953 2.41187
30 4KCT FDP 0.01174 0.40054 2.41187
31 1XE7 GUN 0.006973 0.45454 2.46305
32 4B7E OGA 0.001842 0.45462 2.5788
33 3P3N AKG 0.003839 0.44631 2.5788
34 1H2M OGA 0.004286 0.44407 2.5788
35 1Y9Q MED 0.01138 0.42426 2.60417
36 1FBL HTA 0.01496 0.4002 2.7027
37 2F2U M77 0.001631 0.43978 2.73632
38 1B74 DGN 0.003742 0.46067 2.75591
39 2HFK E4H 0.01511 0.40859 2.82132
40 1RYD GLC 0.002489 0.45509 2.84238
41 2NCD ADP 0.007805 0.42634 2.85714
42 2Q09 DI6 0.01396 0.40564 2.88462
43 2O66 FLC 0.002953 0.44538 2.96296
44 1DXY COI 0.04185 0.41356 3.003
45 1Y42 TYR 0.0103 0.41589 3.06122
46 1NML CIT 0.007214 0.42266 3.06748
47 3BRE C2E 0.009749 0.4274 3.07263
48 3L24 GOA 0.009007 0.44872 3.09478
49 1X8X TYR 0.005412 0.4184 3.10559
50 3R51 MMA 0.02633 0.42424 3.125
51 3DGB MUC 0.003788 0.42017 3.14136
52 2F59 INI 0.001414 0.41946 3.18471
53 2NVK NAP 0.01591 0.40761 3.27869
54 1YHM AHD 0.01437 0.41434 3.31492
55 1CKM GTP 0.001983 0.44155 3.33333
56 1H16 DTL 0.003381 0.47097 3.33952
57 1H16 PYR 0.00511 0.45387 3.33952
58 1A5Z OXM 0.03464 0.41191 3.44828
59 3LST SAH 0.006998 0.40549 3.44828
60 2BZ1 TAU 0.02891 0.43683 3.57143
61 1EYE PMM 0.004017 0.41915 3.57143
62 4C2G ALA ALA ALA ALA 0.005692 0.42217 3.58744
63 1UF5 CDT 0.006907 0.41404 3.63036
64 4Q0A 4OA 0.001944 0.41451 3.64238
65 4COQ SAN 0.007183 0.4336 3.64372
66 1T0I FMN 0.0009005 0.42647 3.66492
67 3SHR CMP 0.002668 0.43101 3.67893
68 3JQ3 ADP 0.01472 0.4005 3.82514
69 3I0O SMI 0.006041 0.43136 3.83481
70 3BHO B4P 0.007625 0.46074 3.84615
71 1QD0 RR6 0.008114 0.40696 3.90625
72 2YLD CMO 0.007546 0.4326 3.93701
73 3I8P 840 0.004878 0.40759 3.98126
74 3NNF AKG 0.01421 0.41974 4.06977
75 1Q11 TYE 0.001467 0.45286 4.08163
76 4WBD ADP 0.01387 0.42588 4.08163
77 4WBD CIT 0.02483 0.41927 4.08163
78 4KGM ATP 0.01148 0.40092 4.08163
79 2Q1A 2KT 0.01593 0.41741 4.09556
80 1JN2 SFP 0.02185 0.46788 4.21941
81 1WRA PC 0.002826 0.45932 4.22078
82 1Y2W NAG 0.01819 0.4147 4.22535
83 2ZSC BTN 0.007159 0.4051 4.25532
84 3MTW M3R 0.0005096 0.44458 4.26716
85 3NFZ 3NF 0.004132 0.41866 4.28135
86 3RF4 FUN 0.006685 0.42411 4.31034
87 2Z9V PXM 0.02327 0.40035 4.33673
88 1F5F DHT 0.00139 0.42384 4.39024
89 1YOA FMN 0.002728 0.49558 4.40252
90 3GM5 CIT 0.03225 0.40297 4.40252
91 2VAR KDG 0.008426 0.4063 4.47284
92 2VAR KDF 0.009459 0.40429 4.47284
93 2VQ5 HBA 0.00571 0.44456 4.47761
94 2VQ5 LDP 0.02226 0.42809 4.47761
95 1Y7P RIP 0.007974 0.43148 4.4843
96 2BO4 FLC 0.005247 0.44633 4.53401
97 2PR5 FMN 0.000927 0.42602 4.54545
98 1SS4 CIT 0.002348 0.51793 4.57516
99 1SS4 GSH 0.003969 0.49406 4.57516
100 3E5P PPI 0.001014 0.53305 4.58221
101 2CE7 ADP 0.009113 0.40103 4.62185
102 3SQG COM 0.02578 0.43175 4.6595
103 3SQG TP7 0.005055 0.407 4.6595
104 1MZV AMP 0.006734 0.41449 4.68085
105 3UEC ALA ARG TPO LYS 0.01196 0.429 4.79452
106 2Q8M AMP 0.000362 0.46081 4.81928
107 2OWZ CIT 0.009819 0.42725 4.81928
108 3E81 SLB 0.001952 0.45349 4.87805
109 2OFE NAG 0.005956 0.4374 4.92958
110 2OFD NGA 0.01521 0.41835 4.92958
111 2Q37 3AL 0.01581 0.41246 4.97238
112 2ZJF BSU 0.00838 0.41058 4.97238
113 3K3G MMU 0.006281 0.4279 5
114 1KDK DHT 0.001925 0.40378 5.08475
115 1NNS ASP 0.01155 0.40484 5.21472
116 4HZO COA 0.001789 0.44911 5.34591
117 3W54 RNB 0.004656 0.41236 5.47112
118 1SQ5 ADP 0.003949 0.41945 5.51948
119 3I51 45C 0.006381 0.41113 5.55556
120 4O8A 2OP 0.008585 0.44981 5.56586
121 1Z44 NPO 0.04779 0.42415 5.6213
122 1Z48 FMN 0.002497 0.41856 5.6213
123 1Z42 FMN 0.004217 0.41831 5.6213
124 1Z44 FMN 0.005731 0.40885 5.6213
125 1G8S MET 0.005472 0.43912 5.65217
126 4N7C AEF 0.01379 0.426 5.68182
127 2OHV NHL 0.01659 0.40244 5.68182
128 1YRX FMN 0.0006344 0.441 5.78512
129 4LO6 SIA GAL 0.01558 0.4264 5.78947
130 1A59 CIT 0.02792 0.41107 5.82011
131 2YDW WSH 0.002319 0.43351 5.88235
132 4P9Z NMI PTR 02K ASN NH2 0.007012 0.4232 5.98291
133 3CF6 SP1 0.006094 0.40394 5.98802
134 1Y1A GSH 0.003183 0.49752 6.01093
135 1ZZ7 S0H 0.003263 0.43772 6.06061
136 3SCH TB6 0.01854 0.41431 6.06061
137 1TUV VK3 0.02256 0.42778 6.14035
138 4M5P MLA 0.00505 0.47051 6.14251
139 1NU4 MLA 0.02763 0.43796 6.18557
140 3MAG 3MA 0.01783 0.44055 6.18893
141 3ZUY TCH 0.01418 0.40117 6.19195
142 3ZPG 5GP 0.04297 0.41295 6.28272
143 1V6A TRE 0.01101 0.41957 6.3253
144 4OB6 S2T 0.003775 0.41179 6.45161
145 4WX0 HXD 0.003769 0.41182 6.46388
146 1BTN I3P 0.0002972 0.55686 6.60377
147 1QO0 BMD 0.00771 0.43217 6.63265
148 1Y75 NAG 0.01692 0.40207 6.77966
149 3U1T MLI 0.00239 0.46284 6.79612
150 1FP2 SAH 0.004917 0.41144 6.81818
151 2Y7P SAL 0.009734 0.41697 6.88073
152 4NC7 I3C 0.01538 0.42369 7.07071
153 3K3K A8S 0.003537 0.40166 7.109
154 3O2K QRP 0.0005456 0.45929 7.173
155 3O2K DST 0.002589 0.4421 7.173
156 1I0Z OXM 0.01022 0.44585 7.20721
157 3BK2 U5P 0.006512 0.41077 7.23562
158 1JGS SAL 0.004918 0.48097 7.24638
159 1H8P PC 0.003526 0.47001 7.33945
160 4K30 NLG 0.02352 0.40014 7.5
161 9LDT OXM 0.0118 0.45038 7.53012
162 3R6K FUC GAL GLA 0.0221 0.41603 7.54098
163 2JFV FLC 0.02846 0.40555 7.56014
164 2XDQ MGX 0.01562 0.43618 7.6087
165 2B7N NTM 0.0007849 0.47131 7.69231
166 4F4S EFO 0.003815 0.43476 7.89474
167 1WGC SIA GAL BGC 0.004942 0.47102 8.18713
168 2WGC SIA GAL BGC 0.01343 0.456 8.18713
169 1NF8 BOG 0.00515 0.44672 8.21256
170 1N9L FMN 0.0006638 0.4312 8.25688
171 2W3L DRO 0.007465 0.45299 8.33333
172 4AF5 CIT 0.002747 0.45308 8.42105
173 3SJ0 DXC 0.01835 0.41996 8.4507
174 1S8F GDP 0.000914 0.40098 8.47458
175 2C2A ADP 0.002153 0.41686 8.52713
176 4Q3F TLA 0.01921 0.41359 8.54701
177 2EB5 OXL 0.002252 0.45711 8.61423
178 1GPJ CIT 0.03635 0.40051 8.66337
179 1XIU REA 0.002043 0.4177 8.69565
180 2JBH 5GP 0.004922 0.42484 8.88889
181 4EXO PYR 0.0006735 0.49801 8.90411
182 3QDY A2G GAL 0.004573 0.4563 9.09091
183 3QDT A2G GAL 0.00568 0.45157 9.09091
184 3QDY CBS 0.0299 0.40961 9.09091
185 2QLX RM4 0.03158 0.40844 9.25926
186 2E1A MSE 0.005143 0.42404 9.33333
187 4B16 NAG 0.009048 0.45668 9.77444
188 3F81 STT 0.007276 0.45357 9.83607
189 1SC3 MLI 0.01779 0.42659 10.1124
190 2C5S AMP 0.01768 0.40126 10.1695
191 2ZYF AKG 0.002628 0.43638 10.2094
192 2QCX PF1 0.001844 0.4546 10.2662
193 4JWX 1N4 0.002548 0.4424 10.3571
194 3LTW HLZ 0.007562 0.43256 10.3571
195 3PNA CMP 0.01177 0.40879 10.3896
196 2JAR UMP 0.0007808 0.42868 10.5
197 1RZM E4P 0.01183 0.42924 10.9467
198 1RZM PEP 0.02176 0.40162 10.9467
199 1PX8 XYP 0.004926 0.43536 11
200 2DTJ THR 0.001706 0.43899 11.236
201 1UW1 ADP 0.01198 0.41792 11.25
202 4LHM AZZ 0.02099 0.40687 11.8182
203 3S9K CIT 0.000926 0.51429 11.8644
204 3TKA CTN 0.001679 0.49932 11.8738
205 3PMD 11A 0.005516 0.41806 12.4183
206 1Z45 GAL 0.002169 0.44546 12.4304
207 1DL7 NCH 0.03099 0.43509 12.5
208 1EYQ NAR 0.01394 0.40566 12.6126
209 1OGD RIP 0.006078 0.42592 12.9771
210 2VDJ HSE 0.021 0.42295 13.289
211 2FOI JPA 0.01043 0.40668 13.3333
212 4NTX AMR 0.01727 0.40834 13.4454
213 1T0S BML 0.03381 0.41245 13.9535
214 2VKL MLT 0.003271 0.48079 14.4444
215 1GU3 BGC BGC BGC BGC BGC 0.007675 0.42149 14.7651
216 3DG6 MUC 0.003244 0.41845 16.0763
217 1JH7 UVC 0.02869 0.40068 16.4021
218 4G28 0W8 0.003805 0.42957 16.6667
219 1ULE GLA GAL NAG 0.007313 0.44605 18
220 1UO4 PIH 0.003094 0.48211 20.5882
221 4LRL TTP 0.01024 0.42928 23.3333
222 2HEK GDP 0.0000000000008555 0.52896 37.1968
223 4CCO OGA 0.007928 0.42087 40
224 1O9U ADZ 0.004043 0.46691 50
Pocket No.: 2; Query (leader) PDB : 4MZ7; Ligand: DGT; 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: 4mz7.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4MZ7; Ligand: DTP; Similar sites found: 226
This union binding pocket(no: 3) in the query (biounit: 4mz7.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJK PYR 0.04291 0.40716 0.927644
2 2ZWS PLM 0.006923 0.47248 1.2987
3 2ZJ5 ADP 0.006321 0.43047 1.2987
4 2YIV NBN 0.0004027 0.50017 1.37195
5 2YIV YIV 0.03423 0.41218 1.37195
6 3BY8 MLT 0.03621 0.40553 1.40845
7 1O68 KIV 0.01416 0.40983 1.45455
8 4WVH ASP HIS ASP ALA HIS ALA 0.0007245 0.46003 1.50094
9 2Q3M MLA 0.01509 0.43697 1.53374
10 4M51 BEZ 0.009858 0.43953 1.63934
11 1ECM TSA 0.001328 0.44892 1.83486
12 4LIT AKG 0.005056 0.43485 1.9656
13 3ZF8 GDP 0.0143 0.40101 1.96721
14 4W6Z ETF 0.01653 0.4349 2.01729
15 1ZED PNP 0.03209 0.4081 2.06612
16 3GTD MLI 0.007187 0.42795 2.07469
17 3NOJ PYR 0.01672 0.40896 2.10084
18 2Y6P CTP 0.007936 0.41156 2.13675
19 4NAO AKG 0.006996 0.44029 2.14724
20 1C1L GAL BGC 0.01423 0.42533 2.18978
21 1KYQ NAD 0.002402 0.41123 2.18978
22 2GWD GLU 0.002278 0.439 2.22717
23 3MD0 GDP 0.01379 0.40586 2.25352
24 2PP3 LGT 0.002861 0.42056 2.26131
25 2P69 PLP 0.02881 0.4006 2.28758
26 1XX4 BAM 0.001783 0.48547 2.29885
27 1U5R ATP 0.005345 0.40609 2.29885
28 1E4E ADP 0.004916 0.40009 2.33236
29 1PEA ACM 0.006962 0.44713 2.33766
30 3ZGE ASP 0.00247 0.46971 2.41187
31 4KCT PYR 0.01361 0.4061 2.41187
32 1XE7 GUN 0.005216 0.46113 2.46305
33 2DWU DGL 0.007459 0.41719 2.53623
34 2DVZ GLU 0.01177 0.40451 2.54777
35 4B7E OGA 0.001653 0.45674 2.5788
36 3P3N AKG 0.003441 0.44852 2.5788
37 1H2M OGA 0.006154 0.43674 2.5788
38 1Y9Q MED 0.01726 0.41578 2.60417
39 1FBL HTA 0.01314 0.40254 2.7027
40 2F2U M77 0.01399 0.40142 2.73632
41 1B74 DGN 0.003357 0.46304 2.75591
42 1RYD GLC 0.01296 0.4216 2.84238
43 2Q09 DI6 0.01583 0.40331 2.88462
44 2O66 FLC 0.002988 0.44515 2.96296
45 1DXY COI 0.03806 0.41576 3.003
46 1NML CIT 0.008306 0.41999 3.06748
47 3L24 GOA 0.01206 0.44208 3.09478
48 1X8X TYR 0.004978 0.41989 3.10559
49 3R51 MMA 0.0259 0.42462 3.125
50 3DGB MUC 0.005926 0.41241 3.14136
51 1KTC NGA 0.01264 0.41199 3.20988
52 2NVK NAP 0.002822 0.44047 3.27869
53 2FGQ MLT 0.003255 0.44965 3.31325
54 1YHM AHD 0.007074 0.42827 3.31492
55 1CKM GTP 0.001963 0.44174 3.33333
56 1H16 PYR 0.006782 0.4477 3.33952
57 1H16 DTL 0.02195 0.4284 3.33952
58 3LST SAH 0.007022 0.40946 3.44828
59 2BZ1 TAU 0.02145 0.44431 3.57143
60 1EYE PMM 0.004904 0.41569 3.57143
61 1H0C AOA 0.02831 0.41077 3.57143
62 3QV9 QV7 0.01165 0.41846 3.60721
63 1UF5 CDT 0.00683 0.41424 3.63036
64 4Q0A 4OA 0.001883 0.41501 3.64238
65 4COQ SAN 0.02043 0.41233 3.64372
66 1T0I FMN 0.0004834 0.43612 3.66492
67 3SHR CMP 0.004399 0.4221 3.67893
68 3I0O ADP 0.005743 0.41734 3.83481
69 3BHO B4P 0.01886 0.43921 3.84615
70 4DN8 BMA 0.01022 0.42643 3.84615
71 1QD0 RR6 0.006813 0.40999 3.90625
72 1B5E DCM 0.005435 0.42302 4.06504
73 3NNF AKG 0.01395 0.42011 4.06977
74 4WBD ADP 0.001943 0.46718 4.08163
75 4WBD CIT 0.01795 0.42641 4.08163
76 1Q11 TYE 0.01176 0.41336 4.08163
77 4KGM ATP 0.005633 0.41329 4.08163
78 2Q1A 2KT 0.02352 0.40945 4.09556
79 4F8L GAL 0.0215 0.44425 4.13793
80 1JN2 SFP 0.01921 0.47032 4.21941
81 1WRA PC 0.01818 0.42016 4.22078
82 1Y2W NAG 0.005478 0.4391 4.22535
83 3NFZ 3NF 0.0007673 0.44781 4.28135
84 4USS GSH 0.01012 0.41624 4.30769
85 3RF4 FUN 0.003165 0.4383 4.31034
86 2Z9V PXM 0.0227 0.40082 4.33673
87 1F5F DHT 0.001449 0.42318 4.39024
88 3GM5 CIT 0.03259 0.40276 4.40252
89 2VAR KDG 0.008752 0.40564 4.47284
90 2VQ5 HBA 0.005647 0.44479 4.47761
91 2VQ5 LDP 0.01246 0.44133 4.47761
92 1Y7P RIP 0.0356 0.40094 4.4843
93 2BO4 FLC 0.009248 0.43441 4.53401
94 2PR5 FMN 0.0007932 0.42844 4.54545
95 1SS4 GSH 0.01855 0.44928 4.57516
96 1SS4 CIT 0.003763 0.4451 4.57516
97 3E5P PPI 0.001338 0.52332 4.58221
98 3SQG COM 0.03081 0.42747 4.6595
99 3SQG TP7 0.002961 0.41577 4.6595
100 1MZV AMP 0.005833 0.41706 4.68085
101 3GJB AKG 0.00873 0.41429 4.70219
102 3UEC ALA ARG TPO LYS 0.01064 0.43145 4.79452
103 2Q8M AMP 0.0003692 0.46047 4.81928
104 2OWZ CIT 0.01398 0.42007 4.81928
105 4C6F NCD 0.01166 0.40468 4.83461
106 4C6F DOR 0.01166 0.40468 4.83461
107 3E81 SLB 0.005731 0.43239 4.87805
108 2OFE NAG 0.003729 0.4469 4.92958
109 2OFD NGA 0.01439 0.41948 4.92958
110 2Q37 3AL 0.01214 0.41766 4.97238
111 2ZJF BSU 0.006302 0.41568 4.97238
112 2PVQ GSH 0.004392 0.40548 4.97512
113 3K3G MMU 0.005937 0.42898 5
114 3KMT SAH 0.005667 0.40905 5.04202
115 1QY1 PRZ 0.0008825 0.41877 5.17241
116 1H8G CHT 0.01749 0.44941 5.26316
117 4HZO COA 0.003553 0.4361 5.34591
118 3W54 RNB 0.003869 0.41548 5.47112
119 3I51 45C 0.006325 0.41128 5.55556
120 4O8A 2OP 0.00604 0.4578 5.56586
121 1Z42 HBA 0.01515 0.45618 5.6213
122 1Z44 NPO 0.04096 0.42805 5.6213
123 1Z48 FMN 0.002511 0.41847 5.6213
124 1Z42 FMN 0.008387 0.40638 5.6213
125 1G8S MET 0.02434 0.40875 5.65217
126 2OHV NHL 0.01443 0.40502 5.68182
127 1YRX FMN 0.0006492 0.44062 5.78512
128 4LO6 SIA GAL 0.01774 0.4236 5.78947
129 1A59 CIT 0.001465 0.4731 5.82011
130 2YDW WSH 0.003083 0.42844 5.88235
131 4P9Z NMI PTR 02K ASN NH2 0.008503 0.41954 5.98291
132 1Y1A GSH 0.01913 0.44572 6.01093
133 1ZZ7 S0H 0.002695 0.44134 6.06061
134 3SCH TB6 0.01963 0.41315 6.06061
135 4M5P MLA 0.004889 0.47128 6.14251
136 4M5P 23W 0.03945 0.40903 6.14251
137 2JGS BTN 0.006983 0.42585 6.15385
138 3MAG 3MA 0.01245 0.44909 6.18893
139 3ZPG 5GP 0.005108 0.4616 6.28272
140 1V6A TRE 0.005398 0.43357 6.3253
141 2Q8H TF4 0.01012 0.44608 6.38821
142 4OB6 S2T 0.003693 0.41215 6.45161
143 4WX0 HXD 0.003383 0.41359 6.46388
144 1BTN I3P 0.004242 0.48455 6.60377
145 1QO0 BMD 0.007395 0.43301 6.63265
146 1Y75 NAG 0.01604 0.40307 6.77966
147 3U1T MLI 0.002689 0.46037 6.79612
148 1FP2 SAH 0.004371 0.41342 6.81818
149 2FR6 CTN 0.003385 0.40589 6.84932
150 2Y7P SAL 0.01705 0.40629 6.88073
151 1QR0 COA 0.009221 0.40888 7.01754
152 4NC7 I3C 0.01681 0.42181 7.07071
153 3K3K A8S 0.001999 0.4103 7.109
154 1E2S CSN 0.008327 0.40255 7.15746
155 3O2K QRP 0.000531 0.45978 7.173
156 3O2K DST 0.002504 0.44274 7.173
157 4JCA CIT 0.04786 0.41685 7.18563
158 1I0Z OXM 0.0112 0.44375 7.20721
159 3BK2 U5P 0.008646 0.40585 7.23562
160 1JGS SAL 0.003629 0.48851 7.24638
161 1H8P PC 0.003567 0.46975 7.33945
162 4K30 NLG 0.02316 0.40043 7.5
163 9LDT OXM 0.01359 0.44702 7.53012
164 3R6K FUC GAL GLA 0.02508 0.41334 7.54098
165 2JFV FLC 0.02515 0.40808 7.56014
166 2XDQ MGX 0.005735 0.45898 7.6087
167 2B7N NTM 0.0008086 0.47073 7.69231
168 4F4S EFO 0.003982 0.43394 7.89474
169 3DER ALA LYS 0.0009754 0.41729 8.11594
170 2WGC SIA GAL BGC 0.01342 0.45601 8.18713
171 1WGC SIA GAL BGC 0.01026 0.4537 8.18713
172 1NF8 BOG 0.004345 0.45029 8.21256
173 1N9L FMN 0.0005967 0.43286 8.25688
174 2W3L DRO 0.006976 0.45453 8.33333
175 4AF5 CIT 0.007334 0.43318 8.42105
176 3SJ0 DXC 0.008962 0.43508 8.4507
177 1S8F GDP 0.000907 0.40108 8.47458
178 2C2A ADP 0.0035 0.40911 8.52713
179 4Q3F TLA 0.01443 0.41182 8.54701
180 2EB5 OXL 0.002242 0.4572 8.61423
181 1GPJ CIT 0.02306 0.40986 8.66337
182 3QP4 HL0 0.002948 0.41585 8.79121
183 2JBH 5GP 0.01538 0.40384 8.88889
184 4EXO PYR 0.001218 0.48512 8.90411
185 3QDY A2G GAL 0.004376 0.45726 9.09091
186 3QDT A2G GAL 0.005329 0.45296 9.09091
187 3QDY CBS 0.00386 0.45278 9.09091
188 2QLX RM4 0.03985 0.40348 9.25926
189 2E1A MSE 0.01029 0.41126 9.33333
190 4B16 NAG 0.01918 0.43881 9.77444
191 3F81 STT 0.0254 0.41876 9.83607
192 1SC3 MLI 0.01357 0.43254 10.1124
193 1W3R PYR 0.02995 0.41513 10.1852
194 2QCX PF1 0.00631 0.43051 10.2662
195 4JWX 1N4 0.002645 0.4417 10.3571
196 3LTW HLZ 0.009673 0.42756 10.3571
197 3PNA CMP 0.003602 0.43058 10.3896
198 2JAR UMP 0.0008078 0.42815 10.5
199 1RZM E4P 0.009033 0.43491 10.9467
200 3L6R MLI 0.03726 0.40492 10.9827
201 1PX8 XYP 0.007658 0.42671 11
202 1LNX URI 0.0216 0.40177 11.1111
203 2DTJ THR 0.001727 0.43877 11.236
204 1UW1 ADP 0.002281 0.45044 11.25
205 4LHM AZZ 0.002116 0.45191 11.8182
206 3TKA CTN 0.0027 0.48386 11.8738
207 3PMD 11A 0.009216 0.40888 12.4183
208 1Z45 GAL 0.002066 0.44638 12.4304
209 1DL7 NCH 0.03251 0.43388 12.5
210 1QH9 LAC 0.007268 0.43336 12.931
211 1OGD RIP 0.006207 0.42552 12.9771
212 2VDJ HSE 0.03006 0.41505 13.289
213 2FOI JPA 0.001522 0.44102 13.3333
214 4NTX AMR 0.02319 0.40261 13.4454
215 1T0S BML 0.006359 0.4491 13.9535
216 2VKL MLT 0.001565 0.49823 14.4444
217 1GU3 BGC BGC BGC BGC BGC 0.007717 0.42138 14.7651
218 1SJW NGV 0.007588 0.40034 15.2778
219 3DG6 MUC 0.003415 0.41758 16.0763
220 1ULE GLA GAL NAG 0.005334 0.45294 18
221 1UO4 PIH 0.003817 0.47714 20.5882
222 4CCN OGA 0.02722 0.40646 22.8571
223 4LRL TTP 0.009765 0.43025 23.3333
224 1UO5 PIH 0.00516 0.47978 26.4706
225 2HEK GDP 0.000000000001017 0.52755 37.1968
226 4CCO OGA 0.01364 0.41054 40
227 1O9U ADZ 0.002151 0.48121 50
Pocket No.: 4; Query (leader) PDB : 4MZ7; Ligand: DGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4mz7.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4MZ7; Ligand: DGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4mz7.bio1) has 62 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4MZ7; Ligand: DGT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4mz7.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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