Receptor
PDB id Resolution Class Description Source Keywords
5XDT 1.3 Å NON-ENZYME: CELL_CYCLE STAPHYLOCOCCUS AUREUS FTSZ 12-316 COMPLEXED WITH TXA707 STAPHYLOCOCCUS AUREUS (STRAIN MRSA252)ORGANISM_TAXID: 282458 CELL DIVISION GTPASE INHIBITOR HYDROLASE-HYDROLASE INHIBICOMPLEX
Ref.: STRUCTURAL FLEXIBILITY OF AN INHIBITOR OVERCOMES DR RESISTANCE MUTATIONS IN STAPHYLOCOCCUS AUREUS FTSZ ACS CHEM. BIOL. V. 12 1947 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZI7 A:403;
Valid;
none;
submit data
389.3 C15 H8 F5 N3 O2 S c1cc(...
CA A:402;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MB3 A:405;
A:404;
Invalid;
Valid;
none;
none;
submit data
99.131 C5 H9 N O CN1CC...
GDP A:401;
Valid;
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
5XDT 1.3 Å NON-ENZYME: CELL_CYCLE STAPHYLOCOCCUS AUREUS FTSZ 12-316 COMPLEXED WITH TXA707 STAPHYLOCOCCUS AUREUS (STRAIN MRSA252)ORGANISM_TAXID: 282458 CELL DIVISION GTPASE INHIBITOR HYDROLASE-HYDROLASE INHIBICOMPLEX
Ref.: STRUCTURAL FLEXIBILITY OF AN INHIBITOR OVERCOMES DR RESISTANCE MUTATIONS IN STAPHYLOCOCCUS AUREUS FTSZ ACS CHEM. BIOL. V. 12 1947 2017
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 5XDV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 5XDT - MB3 C5 H9 N O CN1CCCC1=O
3 5H5G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5H5H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 5H5I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5XDW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 5MN4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5XDU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4DXD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3WGM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2RHL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2RHO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 5XDV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5XDT - MB3 C5 H9 N O CN1CCCC1=O
7 5H5G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5H5H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5H5I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 5XDW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5MN4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 5XDU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4DXD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 3WGM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 2RHL - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 2RHO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
5 5XDV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 5XDT - MB3 C5 H9 N O CN1CCCC1=O
7 5H5G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5H5H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 5H5I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
10 5XDW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5MN4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 5XDU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 1W5F - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
14 1RQ2 ic50 = 3 mM CIT C6 H8 O7 C(C(=O)O)C....
15 1RLU - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
16 1W5B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
17 1W5A - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 1W58 - G2P C11 H18 N5 O13 P3 c1nc2c(n1[....
19 2VAP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2R6R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 2R75 Kd = 714 nM 01G C14 H23 N6 O15 P3 C1COCCN1c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZI7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ZI7 1 1
2 9PC 0.693333 0.945455
3 ZI6 0.406593 0.766667
Ligand no: 2; Ligand: MB3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MB3 1 1
Ligand no: 3; 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 : 5XDT; Ligand: GDP; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 5xdt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZGM 32M 0.03174 0.41444 None
2 1UDH URA 0.03879 0.40288 0.819672
3 4ZBY URA 0.01471 0.4075 1.94805
4 4WOE ADP 0.02959 0.40734 1.94805
5 1NC4 DOF 0.03086 0.40711 1.94805
6 1NC2 DOE 0.03184 0.40698 1.94805
7 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.01567 0.41748 2.29508
8 1V59 NAD 0.0192 0.40516 2.5974
9 4NAE 1GP 0.01429 0.42508 2.66667
10 2NXE SAM 0.01094 0.403 2.75591
11 3WCZ CIT 0.004083 0.42338 2.92208
12 4URN NOV 0.01412 0.41981 3.11111
13 4BTV RB3 0.0163 0.4233 3.24675
14 3X27 TRP 0.01539 0.41789 3.24675
15 1I1E DM2 0.03362 0.4043 3.24675
16 1XC6 GAL 0.02615 0.40217 3.24675
17 4RW3 TDA 0.01906 0.42269 3.31126
18 4L50 D8X 0.01674 0.40809 3.38346
19 3DTU DXC 0.02594 0.40888 3.43511
20 1U3G ADP 0.02876 0.40791 3.57143
21 3FIU AMP 0.02307 0.40492 3.61446
22 2QX0 PH2 0.03338 0.40853 3.77358
23 1WUU GLA 0.01163 0.43145 3.8961
24 4ISS TAR 0.03012 0.40256 3.8961
25 3T7S SAM 0.0112 0.40255 4.10448
26 1M0S CIT 0.01585 0.41723 4.10959
27 1EJ0 SAM 0.00661 0.4128 4.44444
28 2H7C SIA 0.02247 0.41473 4.54545
29 3X01 AMP 0.02702 0.41163 4.54545
30 3S5W NAP 0.01778 0.40321 4.54545
31 1FHX 4IP 0.03514 0.40328 4.65116
32 5KJW 53C 0.01898 0.41518 4.87013
33 3QPB URA 0.04426 0.40216 4.87013
34 3B9Q MLI 0.0446 0.40911 5.29801
35 2HK9 ATR 0.01146 0.42019 5.84416
36 3G89 SAM 0.003492 0.43698 6.0241
37 1P77 ATR 0.03524 0.40321 6.25
38 1SW0 PGA 0.0187 0.40573 6.81818
39 3NZ1 3NY 0.008087 0.42975 6.89655
40 5F6U 5VK 0.02232 0.40423 7.00637
41 1GPM AMP 0.006796 0.44087 7.2381
42 3M89 GSP 0.00000009231 0.66413 7.79221
43 3CB2 GDP 0.00000003768 0.65501 7.79221
44 1QVJ RP5 0.04088 0.40178 7.79221
45 1I0B PEL 0.03561 0.4114 8.11688
46 3AB4 LYS 0.02506 0.40696 8.42697
47 1WQ1 AF3 0.02186 0.41403 8.43373
48 4JBL MET 0.01581 0.42168 8.44156
49 5DYO FLU 0.008787 0.4331 8.76623
50 2X1L MET 0.03126 0.40263 8.96947
51 3HAV ATP 0.03024 0.40897 9.74026
52 4XFR CIT 0.00736 0.44039 10.3045
53 4XG0 CIT 0.01011 0.43184 10.3045
54 3ICS ADP 0.02196 0.40229 10.3896
55 3ZBQ GDP 0.0000001644 0.61063 11.6883
56 2YVJ NAI 0.01274 0.40004 11.6883
57 5ITZ GDP 0.00000003275 0.61901 11.9101
58 4LNU GDP 0.00000006041 0.61494 11.9101
59 3RYC GTP 0.00000002456 0.61374 11.9101
60 5EYP GDP 0.00000002034 0.59693 11.9101
61 3RYC GDP 0.0000000946 0.5684 11.9101
62 4LNU GTP 0.0000002741 0.56333 11.9101
63 5EIB GTP 0.0000003359 0.55988 11.9101
64 5ITZ GTP 0.0000008292 0.54458 11.9101
65 5EYP GTP 0.0000009417 0.54242 11.9101
66 5TCI MLI 0.03113 0.40931 12.6812
67 3FGC FMN 0.005083 0.41449 13.8028
68 3IWD M2T 0.03536 0.40357 14.5161
69 3N7S 3N7 0.01617 0.42687 17.3913
70 1CBK ROI 0.009923 0.43603 18.75
71 4EI7 GDP 0.0000000007149 0.68744 23.3766
72 2XG5 EC2 0.005096 0.43824 23.3945
73 2XG5 EC5 0.005096 0.43824 23.3945
74 5V4R MGT 0.03563 0.40598 23.4568
Pocket No.: 2; Query (leader) PDB : 5XDT; Ligand: MB3; 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: 5xdt.bio1) has 1 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5XDT; Ligand: ZI7; Similar sites found: 157
This union binding pocket(no: 3) in the query (biounit: 5xdt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.0002466 0.50639 None
2 3ZO7 K6H 0.02436 0.4076 None
3 4WUJ FMN 0.008892 0.40704 None
4 1GT4 UNA 0.0129 0.40635 None
5 4HBM 0Y7 0.01629 0.4016 None
6 1MFI FHC 0.04189 0.40081 None
7 1VJ7 GPX 0.04976 0.40007 1.2987
8 2YKL NLD 0.003772 0.43972 1.41509
9 3NV6 CAM 0.002801 0.42693 1.62338
10 4WOE ADP 0.001048 0.48671 1.94805
11 3G1Z AMP 0.01566 0.41338 1.94805
12 4ZBY URA 0.04756 0.4016 1.94805
13 5CQG 55C 0.03815 0.40025 1.94805
14 4FE2 AIR 0.02107 0.4069 1.96078
15 5XVQ 8GC 0.01132 0.42894 2.11268
16 1YYE 196 0.01024 0.41468 2.23881
17 5F7J ADE 0.007686 0.43933 2.27273
18 3U3U EAH 0.003432 0.42552 2.27273
19 4CJN QNZ 0.02215 0.41464 2.27273
20 1D4D SIN 0.02259 0.41349 2.27273
21 4WCX MET 0.01258 0.40432 2.27273
22 5T8U LPA 0.02296 0.40135 2.27273
23 5NBW 8SK 0.01963 0.40469 2.33645
24 1YRX FMN 0.00871 0.41433 2.47934
25 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.009004 0.43963 2.51046
26 4Z3E GAL NGA GLA BGC GAL 0.03154 0.40733 2.5974
27 4USI ATP 0.009157 0.40025 2.5974
28 3JU6 ANP 0.004409 0.45089 2.92208
29 4FHT DHB 0.03657 0.40435 2.92208
30 5W0N UPU 0.03604 0.4027 2.92208
31 2PR5 FMN 0.01224 0.40081 3.0303
32 4ZTD ALA GLY ALA GLY ALA 0.007328 0.44806 3.16206
33 1I1E DM2 0.02323 0.41284 3.24675
34 4BTV RB3 0.0303 0.4076 3.24675
35 4RW3 SHV 0.03038 0.40155 3.31126
36 2J9D AMP 0.003332 0.42984 3.36134
37 2J9D ADP 0.009049 0.40047 3.36134
38 5N2D 8J8 0.008029 0.40902 3.47222
39 3KYQ DPV 0.01503 0.42285 3.51759
40 4OKD GLC GLC GLC 0.0003116 0.5185 3.57143
41 3TDC 0EU 0.004945 0.50134 3.57143
42 2HHP FLC 0.002607 0.4676 3.57143
43 4BG4 ADP 0.001352 0.44769 3.57143
44 4RT1 C2E 0.01255 0.40691 3.57143
45 1Y7P RIP 0.02298 0.40653 3.58744
46 4CR6 MAN 0.009301 0.42913 3.69004
47 4P8O 883 0.01394 0.4201 3.74332
48 3SAO DBH 0.0002826 0.51369 3.75
49 1U6R ADP 0.001796 0.44208 3.8961
50 5I35 ANP 0.006099 0.42155 3.8961
51 2IVD ACJ 0.01479 0.41462 3.8961
52 2QL9 CIT 0.01871 0.41326 3.8961
53 5L2R MLA 0.01875 0.41317 3.8961
54 4TUZ 36J 0.01311 0.41328 3.92157
55 4KBA 1QM 0.02068 0.41128 3.92749
56 4TV1 36M 0.02931 0.40748 3.98406
57 3QSB 743 0.006815 0.43148 4.22078
58 2HY0 306 0.01757 0.40706 4.22078
59 2BQP GLC 0.02518 0.40277 4.22078
60 4DSU BZI 0.001445 0.48184 4.2328
61 4UMJ BFQ 0.003612 0.45261 4.39189
62 1OFL NGK GCD 0.007633 0.4423 4.54545
63 5H9P TD2 0.00685 0.44083 4.54545
64 2OG7 SIN 0.01428 0.42536 4.54545
65 3OYW TDG 0.01668 0.42045 4.54545
66 4LH7 1X8 0.02865 0.40849 4.54545
67 4Y24 TD2 0.01997 0.40807 4.54545
68 2VDY HCY 0.03194 0.40537 4.54545
69 5TV6 PML 0.01646 0.41638 4.58333
70 2Z6D FMN 0.009007 0.40679 4.61538
71 2Z6C FMN 0.008487 0.40794 4.65116
72 3DOO SKM 0.01327 0.43206 4.69314
73 3B6C SDN 0.0002805 0.51364 4.70085
74 1WB4 SXX 0.02055 0.41965 4.7138
75 1TV5 N8E 0.002446 0.4731 4.87013
76 5KJW 53C 0.01186 0.42732 4.87013
77 4ORM FMN 0.01667 0.4061 4.87013
78 4ORM 2V6 0.01667 0.4061 4.87013
79 4ORM ORO 0.01667 0.4061 4.87013
80 3QPB URA 0.03724 0.4054 4.87013
81 1YFS ALA 0.02759 0.40303 4.87013
82 3TW1 AHN 0.04053 0.40174 5.06329
83 5M6N 7H9 0.02526 0.41342 5.08475
84 3GD9 GLC BGC BGC BGC 0.008703 0.422 5.19481
85 1I7Q PYR 0.04347 0.4032 5.19481
86 1Q79 3AT 0.02245 0.40182 5.19481
87 1KZN CBN 0.01081 0.40323 5.36585
88 3HCH RSM 0.043 0.40094 5.47945
89 3ALN ANP 0.01068 0.42172 5.50459
90 4M52 M52 0.005332 0.42053 5.51948
91 1K0E TRP 0.01619 0.40517 5.51948
92 4XW2 SIM 0.03902 0.40384 5.55556
93 5H2U 1N1 0.01429 0.40096 5.61798
94 1LES GLC FRU 0.01937 0.40581 5.76923
95 3FAL REA 0.01627 0.41255 5.78512
96 2HK9 SKM 0.01692 0.42296 5.84416
97 2QHV OC9 0.009215 0.42934 6.19048
98 2GQS C2R 0.01104 0.41312 6.32911
99 3TAO PGH 0.008726 0.42611 6.36704
100 3LTW HLZ 0.02416 0.41573 6.42857
101 1TMX HGX 0.00843 0.40179 6.48464
102 4LOO SB4 0.004615 0.42339 6.81818
103 1SW0 PGA 0.01138 0.4163 6.81818
104 2QGI UDP 0.02431 0.41243 6.85484
105 3NZ1 3NY 0.0008914 0.49334 6.89655
106 4MTI 2DX 0.02265 0.41536 6.95652
107 5F6U 5VK 0.001932 0.47879 7.00637
108 3QRC SCR 0.003346 0.45192 7.00637
109 3JQ3 ADP 0.01232 0.41861 7.14286
110 4K55 H6P 0.00237 0.47453 7.25806
111 2YPI PGA 0.007439 0.42958 7.28745
112 3H9R TAK 0.02311 0.40878 7.33945
113 2WKQ FMN 0.01118 0.40258 7.46753
114 2YMZ LAT 0.03622 0.40464 7.69231
115 1M2Z BOG 0.001669 0.51427 7.7821
116 3B99 U51 0.01203 0.41512 8.11688
117 3AB4 THR 0.0284 0.40415 8.42697
118 2POC UD1 0.01357 0.42071 8.44156
119 2PNC CLU 0.001595 0.47541 8.76623
120 5DYO FLU 0.004667 0.45027 8.76623
121 4L6H HCS 0.02473 0.41146 8.76623
122 5FUI APY 0.003029 0.40885 9.09091
123 3KYG 5GP 5GP 0.008415 0.40811 9.69163
124 3H0L ADP 0.006238 0.43802 9.74026
125 3HAV ATP 0.03514 0.40403 9.74026
126 3B6R ADP 0.003111 0.43518 10.0649
127 1XVB 3BR 0.02479 0.40334 10.0649
128 3NCQ ATP 0.006539 0.40653 10.084
129 2YBP 2HG 0.007759 0.43988 10.4987
130 1ZOY UQ1 0.03467 0.4018 10.6796
131 3VMG 9CA 0.01992 0.40438 10.7143
132 2NGR AF3 0.03074 0.40638 10.9948
133 1GRN AF3 0.0346 0.40364 10.9948
134 5EXK MET 0.04087 0.40072 11.039
135 5XVK 8GC 0.005785 0.44563 11.6197
136 2Z7I 742 0.02086 0.40362 12.013
137 2G30 ALA ALA PHE 0.0002424 0.49554 12.0155
138 4RYV ZEA 0.004066 0.44269 12.2581
139 5TVF CGQ 0.02118 0.40307 12.2807
140 5EFW FMN 0.01118 0.40259 12.4138
141 5TCI MLI 0.02257 0.41194 12.6812
142 4V3I ASP LEU THR ARG PRO 0.00517 0.45353 12.8405
143 3A16 PXO 0.002452 0.45212 13.3117
144 5D9G GLU ASN LEU TYR PHE GLN 0.001431 0.47073 13.4146
145 3IWD M2T 0.03751 0.40177 14.5161
146 2VDF OCT 0.0005564 0.41066 15.9091
147 5UC9 MYR 0.02204 0.40984 16.2338
148 1HE1 AF3 0.02591 0.41033 16.2963
149 3RF4 FUN 0.009532 0.43328 17.2414
150 5TPU TYD 0.03295 0.40547 17.2662
151 5DJT FMN 0.01036 0.40406 18.0328
152 1I7M CG 0.01331 0.42113 19.403
153 2QQD AG2 0.03269 0.40496 20.7547
154 5CLO NS8 0.01019 0.43008 22.0339
155 2XG5 EC2 0.004448 0.44758 23.3945
156 2XG5 EC5 0.004448 0.44758 23.3945
157 2XN5 FUN 0.007348 0.42985 45.7143
Pocket No.: 4; Query (leader) PDB : 5XDT; Ligand: MB3; Similar sites found: 215
This union binding pocket(no: 4) in the query (biounit: 5xdt.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UYW TAU 0.01698 0.42841 None
2 2HRL SIA GAL SIA BGC NGA CEQ 0.01992 0.41939 None
3 4ZGM 32M 0.03688 0.41668 None
4 2OQ2 A3P 0.007831 0.4109 None
5 5C2N NAG 0.04627 0.40354 None
6 1LOB MMA 0.03876 0.40408 1.65746
7 2WW4 ADP 0.02759 0.40452 1.76678
8 4WOE ADP 0.01241 0.43478 1.94805
9 1NC4 DOF 0.02935 0.41455 1.94805
10 4ZBY URA 0.0195 0.4075 1.94805
11 1NC2 DOE 0.04194 0.40687 1.94805
12 4B4Q A2G GAL NAG FUC GAL GLC 0.01698 0.4274 1.98676
13 3ZJX BOG 0.0478 0.40319 2.07612
14 3HBN UDP 0.02028 0.40124 2.12766
15 5MX4 HPA 0.005644 0.45449 2.14592
16 2TPI ILE VAL 0.0173 0.40449 2.18341
17 5T8U LPA 0.005082 0.44135 2.27273
18 2ZFI ADP 0.01085 0.42895 2.27273
19 4L9I 8PR 0.007956 0.42388 2.27273
20 5NUL FMN 0.01184 0.41223 2.27273
21 3BJE URA 0.04332 0.4066 2.27273
22 5X20 AOT 0.04492 0.40497 2.27273
23 2VZZ SCA 0.004242 0.40273 2.29358
24 1G6H ADP 0.006003 0.44855 2.33463
25 3PA8 621 0.02236 0.42094 2.3622
26 3LL5 IP8 0.02284 0.41877 2.40964
27 1NE7 16G 0.01222 0.43511 2.42215
28 3AJ6 NGA 0.03498 0.41198 2.44755
29 4FFG 0U8 0.02066 0.42279 2.5974
30 1V59 NAD 0.022 0.40949 2.5974
31 2Q8E OGA 0.04111 0.40796 2.5974
32 2XT3 ADP 0.03958 0.40639 2.5974
33 2IGA XX2 0.01863 0.40618 2.5974
34 3CM2 X23 0.04794 0.4029 2.5974
35 4NAE 1GP 0.01761 0.42713 2.66667
36 4DZ1 DAL 0.04422 0.40473 2.7027
37 2NXE SAM 0.01046 0.41147 2.75591
38 2GMM MAN MAN 0.0243 0.41875 2.77778
39 2GN3 MAN 0.02109 0.40517 2.77778
40 1OJ4 ANP 0.008591 0.41875 2.82686
41 1O68 KIV 0.01766 0.42648 2.90909
42 2RNF UM3 0.008419 0.44678 2.92208
43 3WCZ CIT 0.004759 0.42484 2.92208
44 2PZE ATP 0.02352 0.42215 2.92208
45 1RZU ADP 0.01437 0.41877 2.92208
46 3BWR GAL NGA SIA GAL BGC 0.04457 0.40464 2.92208
47 3V8S 0HD 0.02022 0.40447 2.92208
48 4YVN EBS 0.04708 0.40396 2.92208
49 3DZD ADP 0.02319 0.4016 2.92208
50 1BC5 ACE ASN TRP GLU THR PHE 0.01473 0.42629 2.97398
51 5FPE 3TR 0.01627 0.43836 3.10078
52 4URN NOV 0.01956 0.41981 3.11111
53 2P3V SRT 0.02584 0.4157 3.125
54 5AOA PPI 0.01298 0.44854 3.14685
55 1F9V ADP 0.008529 0.44427 3.17003
56 4WZ6 ATP 0.007633 0.44878 3.24675
57 1H3F TYE 0.01163 0.43879 3.24675
58 4BTV RB3 0.02061 0.42504 3.24675
59 4I9B NAD 0.005255 0.42178 3.24675
60 3X27 TRP 0.02126 0.41789 3.24675
61 4RDL FUC GAL NDG FUC 0.04286 0.4049 3.24675
62 1XC6 GAL 0.03406 0.40337 3.24675
63 4RW3 TDA 0.02444 0.42269 3.31126
64 3DTU DXC 0.02989 0.41189 3.43511
65 4FK7 P34 0.00554 0.4529 3.49345
66 1SBR VIB 0.02662 0.41683 3.5
67 2HHP FLC 0.00002468 0.5672 3.57143
68 5ARK UMP 0.03065 0.41351 3.57143
69 4FBL SPD 0.02687 0.41253 3.57143
70 3DC4 ADP 0.04095 0.40665 3.57143
71 3GU3 SAH 0.03442 0.40314 3.57143
72 4MXP DB4 0.02579 0.4026 3.57143
73 3AI3 SOL 0.0497 0.40204 3.57143
74 4TSZ ACE GLN ALC ASP LEU ZCL 0.02349 0.40133 3.57143
75 1Y7P RIP 0.003212 0.46684 3.58744
76 3FIU AMP 0.0318 0.40492 3.61446
77 3SAO DBH 0.02152 0.40777 3.75
78 2QX0 PH2 0.04382 0.40853 3.77358
79 5JJU AMP 0.003609 0.44876 3.82353
80 3R75 PYR 0.02539 0.41562 3.8961
81 4ISS TAR 0.03837 0.4028 3.8961
82 4TUZ 36J 0.02773 0.40442 3.92157
83 4KBA 1QM 0.02 0.4193 3.92749
84 5W4W 9WG 0.004931 0.40019 3.92749
85 3LXI CAM 0.04628 0.40399 4.038
86 3T7S SAM 0.01043 0.41152 4.10448
87 2BVE PH5 0.01661 0.42849 4.20168
88 4XDA RIB 0.03825 0.40076 4.22078
89 4DSU BZI 0.001444 0.48674 4.2328
90 1EJ0 SAM 0.009785 0.4128 4.44444
91 2OG2 MLI 0.02702 0.4294 4.45682
92 3B5J 12D 0.04111 0.40656 4.52675
93 1OFL NGK GCD 0.001865 0.47901 4.54545
94 1X8X TYR 0.01327 0.42447 4.54545
95 2H7C SIA 0.03829 0.41151 4.54545
96 4D4U FUC GAL NDG FUC 0.02465 0.41063 4.54545
97 3S5W NAP 0.02162 0.40637 4.54545
98 4UCC ZKW 0.01308 0.40564 4.72103
99 2DT9 THR 0.03765 0.40475 4.79042
100 1TV5 N8E 0.03265 0.42067 4.87013
101 2VT3 ATP 0.01813 0.41371 4.87013
102 4CNO 9PY 0.03807 0.40957 4.87013
103 5KJW 53C 0.03943 0.409 4.87013
104 1PUA COA 0.01468 0.4047 4.90798
105 1QSN COA 0.01264 0.40768 4.93827
106 1Q2D COA 0.01528 0.40703 4.93827
107 1S7N COA 0.0141 0.40249 4.94506
108 1VHT BA3 0.0115 0.41983 5.04587
109 5M6N 7H9 0.03581 0.4103 5.08475
110 3GUZ PAF 0.02168 0.41708 5.11364
111 1PCA CIT 0.006884 0.4313 5.19481
112 1US5 GLU 0.009945 0.42678 5.19481
113 1YQT ADP 0.02007 0.42453 5.19481
114 1F6D UDP 0.02037 0.4149 5.19481
115 4K30 NLG 0.04089 0.40284 5.19481
116 2HJR APR 0.006159 0.40951 5.4878
117 5H2U 1N1 0.01188 0.40893 5.61798
118 4H2X G5A 0.01178 0.40909 5.82524
119 2GKS ADP 0.005151 0.41891 5.84416
120 2HK9 ATR 0.01999 0.41532 5.84416
121 5ABF XRJ 0.0182 0.40666 5.84416
122 2AWN ADP 0.0374 0.40633 5.84416
123 3G89 SAM 0.003683 0.44397 6.0241
124 2AIQ BEN 0.02416 0.41912 6.06061
125 4XPL ACO 0.005966 0.42616 6.13497
126 3AIA SAM 0.01506 0.41061 6.16114
127 3PUN FUC GAL NDG FUC 0.03334 0.41106 6.16883
128 2IS6 ADP 0.03755 0.40118 6.16883
129 1P77 ATR 0.02233 0.42097 6.25
130 3TAO PGH 0.03234 0.40454 6.36704
131 4IAW LIZ 0.02275 0.41243 6.38298
132 5LX6 78P 0.003822 0.46222 6.80628
133 2VF7 ADP 0.007251 0.43364 6.81818
134 3NZ1 3NY 0.01096 0.42975 6.89655
135 1TZD ADP 0.03408 0.41034 6.90909
136 4MTI 2DX 0.04514 0.40433 6.95652
137 5F6U 5VK 0.02934 0.40423 7.00637
138 4CUB GAL NAG 0.03786 0.40172 7.10383
139 4PAB THG 0.006295 0.42507 7.14286
140 2IYF UDP 0.02165 0.41748 7.14286
141 3JQ3 ADP 0.03537 0.40252 7.14286
142 1T9D P22 0.04926 0.40225 7.14286
143 1GPM AMP 0.0009738 0.49833 7.2381
144 4K55 H6P 0.01094 0.43445 7.25806
145 3SJK LYS PRO VAL LEU ARG THR ALA 0.02176 0.42188 7.36842
146 4PPF FLC 0.02633 0.42113 7.42857
147 4U00 ADP 0.01849 0.41594 7.78689
148 3M89 GSP 0.0000001703 0.66413 7.79221
149 3CB2 GDP 0.00000007403 0.65501 7.79221
150 4NS3 NAD 0.008132 0.41649 7.79221
151 5EE7 5MV 0.04885 0.40141 8.11688
152 3K56 IS3 0.01155 0.41973 8.27068
153 3AB4 THR 0.03591 0.40585 8.42697
154 1WQ1 AF3 0.01641 0.42572 8.43373
155 4JBL MET 0.02382 0.41945 8.44156
156 1OHE ACE ALA SEP PRO 0.03743 0.40878 8.44156
157 1IH7 GMP 0.03246 0.40817 8.44156
158 5DYO FLU 0.006484 0.45112 8.76623
159 2BOS GLA GAL 0.008475 0.40265 8.82353
160 2CJU PHX 0.03598 0.41056 8.84956
161 5MRH Q9Z 0.006267 0.44576 9.09091
162 1KZL CRM 0.02805 0.40774 9.13461
163 4GLW NMN 0.04542 0.41061 9.18033
164 1FQK ALF 0.01126 0.43825 9.41558
165 4D86 ADP 0.01189 0.40583 9.41558
166 2CHT TSA 0.02649 0.41695 9.44882
167 1RDL MMA 0.01165 0.42457 9.73451
168 3H0L ADP 0.004163 0.45506 9.74026
169 3HAV ATP 0.02337 0.42135 9.74026
170 4XFR CIT 0.009992 0.44039 10.3045
171 4XG0 CIT 0.01284 0.4332 10.3045
172 2YBP 2HG 0.04016 0.40835 10.4987
173 2OS2 OGA 0.04665 0.40488 10.4987
174 2W9S TOP 0.01121 0.43838 10.559
175 1GRN AF3 0.03541 0.41009 10.9948
176 5CSS G3P 0.03661 0.40175 11.5044
177 3ZBQ GDP 0.0000003201 0.61063 11.6883
178 5ITZ GDP 0.00000006919 0.61901 11.9101
179 4LNU GDP 0.0000001239 0.61494 11.9101
180 5EYP GDP 0.00000005619 0.59772 11.9101
181 3RYC GTP 0.00000003444 0.56821 11.9101
182 4LNU GTP 0.0000005685 0.56333 11.9101
183 5EIB GTP 0.0000006928 0.55988 11.9101
184 5ITZ GTP 0.000001716 0.54408 11.9101
185 5EYP GTP 0.000001887 0.54242 11.9101
186 3RYC GDP 0.0000001813 0.51089 11.9101
187 2G30 ALA ALA PHE 0.0002448 0.49186 12.0155
188 5TCI MLI 0.04741 0.40616 12.6812
189 4V3I ASP LEU THR ARG PRO 0.02655 0.42248 12.8405
190 1QMG DMV 0.003728 0.46348 12.987
191 3LGS ADE 0.04748 0.40468 12.987
192 5LWY OLB 0.016 0.41279 13.0841
193 3QH2 3NM 0.02907 0.41476 13.1222
194 3A16 PXO 0.0215 0.42764 13.3117
195 5F90 GLA GAL 0.02676 0.4186 13.4615
196 3FGC FMN 0.007367 0.41519 13.8028
197 2HFU MEV 0.04446 0.40617 14.2857
198 3IWD M2T 0.007252 0.4427 14.5161
199 3TL1 JRO 0.04143 0.40637 15.0943
200 4H2V AMP 0.01073 0.40486 16.3636
201 3N7S 3N7 0.02086 0.42748 17.3913
202 5L95 AMP 0.01566 0.40044 18.2796
203 1CBK ROI 0.01363 0.43603 18.75
204 4YMZ 13P 0.03849 0.40424 19.1235
205 1I7M CG 0.01309 0.42898 19.403
206 3DZ6 M8E 0.01568 0.40338 19.403
207 5CLO NS8 0.03468 0.40684 22.0339
208 4EI7 GDP 0.0000000004717 0.71068 23.3766
209 2XG5 EC2 0.003123 0.45337 23.3945
210 2XG5 EC5 0.003123 0.45337 23.3945
211 5V4R MGT 0.04632 0.40598 23.4568
212 2CNT COA 0.003965 0.41182 23.75
213 5L83 ASP TRP GLU ILE VAL 0.0168 0.41536 27.6786
214 1O6B ADP 0.01435 0.42688 27.8107
215 2OL1 UMP 0.01976 0.40495 32.6531
Feedback