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Receptor
PDB id Resolution Class Description Source Keywords
4EI7 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF BACILLUS CEREUS TUBZ, GDP-FORM BACILLUS CEREUS GTP HYDROLASE PLASMID SEGREGATION REPLICATION
Ref.: FILAMENT FORMATION OF THE FTSZ/TUBULIN-LIKE PROTEIN FROM THE BACILLUS CEREUS PXO1 PLASMID. J.BIOL.CHEM. V. 287 32103 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:500;
B:500;
Valid;
Valid;
none;
none;
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443.201 C10 H15 N5 O11 P2 c1nc2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EI7 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF BACILLUS CEREUS TUBZ, GDP-FORM BACILLUS CEREUS GTP HYDROLASE PLASMID SEGREGATION REPLICATION
Ref.: FILAMENT FORMATION OF THE FTSZ/TUBULIN-LIKE PROTEIN FROM THE BACILLUS CEREUS PXO1 PLASMID. J.BIOL.CHEM. V. 287 32103 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4EI7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4EI7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4EI7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
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 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EI7; Ligand: GDP; Similar sites found with APoc: 203
This union binding pocket(no: 1) in the query (biounit: 4ei7.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1SBR VIB None
2 2FKA BEF None
3 1GPM AMP 1.54242
4 1W96 S1A 1.54242
5 4DXJ 0M9 1.65746
6 1QVJ RP5 1.71233
7 3AQT RCO 1.79949
8 4D86 ADP 1.79949
9 2HK1 FUD 1.94175
10 3QXQ CE5 1.97183
11 4I90 CHT 1.9802
12 2G50 PYR 2.05656
13 4EVQ PHB 2.13333
14 1O9P MLA 2.31362
15 2DPY ADP 2.31362
16 3AI8 HNQ 2.34375
17 2WPW ACO 2.35988
18 2UW1 GVM 2.36686
19 2BO4 FLC 2.51889
20 2W68 SIA GAL BGC 2.5641
21 5H6S HDH 2.57069
22 5U8U FAD 2.57069
23 1KR3 113 2.58621
24 3WQM B29 2.65781
25 4M73 SAH 2.67062
26 4M73 M72 2.67062
27 5ZI9 FLC 2.69231
28 5IKR ID8 2.82776
29 3L6C MLI 2.94985
30 2OHV NHL 3.0303
31 2BTO GTP 3.08483
32 5W7B MYR 3.08483
33 6BR8 6OU 3.08483
34 3CV2 COA 3.08483
35 5MB4 NAG 3.08483
36 3F3E LEU 3.08483
37 5CX6 CDP 3.08483
38 2VZZ SCA 3.21101
39 5TCI MLI 3.26087
40 3R7F CP 3.28947
41 2GJP MAL 3.3419
42 2WHX ADP 3.3419
43 3RLF MAL 3.37838
44 3BJE URA 3.4384
45 3CTY FAD 3.44828
46 5M37 9SZ 3.47826
47 5M36 9SZ 3.49345
48 2UVO NAG 3.50877
49 5VCM UDP 3.57995
50 3W5N RAM 3.59897
51 5WXU FLC 3.59897
52 2IYF UDP 3.59897
53 3WCS MAN NAG 3.59897
54 5WS9 ATP 3.59897
55 5W6Y TRP 3.79747
56 4JBL MET 3.83481
57 4Q6R SIN 3.85604
58 5DNC ASN 3.85604
59 4R8L ASP 3.85604
60 4NTO 1PW 3.86473
61 4O4Z N2O 3.8961
62 5LJW ANP 4.03458
63 5AE2 FYC 4.11311
64 5AE2 FAD 4.11311
65 2YJD YJD 4.16667
66 1BW9 NAD 4.21348
67 1WQ1 AF3 4.21687
68 5OCG 9R5 4.2328
69 5GVR LMR 4.2735
70 4UOX PLP 4.37018
71 4OYA 1VE 4.37018
72 3N8K D1X 4.37018
73 2O66 FLC 4.44444
74 4NAE 1GP 4.44444
75 4V15 PLP 4.48549
76 4ZVV NAD 4.51807
77 4ZVV GN0 4.51807
78 6FA4 D1W 4.62428
79 4LNU GTP 4.62725
80 5ITZ GDP 4.62725
81 4LNU GDP 4.62725
82 5EIB GTP 4.62725
83 5ITZ GTP 4.62725
84 5EYP GTP 4.62725
85 5EYP GDP 4.62725
86 1ZED PNP 4.62725
87 2X1L ADN 4.62725
88 5IM3 DTP 4.62725
89 3WUR O4B 4.67836
90 1PFK ADP 4.6875
91 4MGA 27L 4.70588
92 4MGB XDH 4.70588
93 4MG9 27K 4.70588
94 2HIM ASN 4.7486
95 1OYJ GSH 4.7619
96 4TV1 36M 4.78088
97 6BVM EBV 4.79042
98 2Q1H AS4 4.8
99 3K5I AIR 4.88432
100 5NM7 GLY 4.88722
101 4ZGM 32M 4.91803
102 3KV8 FAH 5.03597
103 1H0A I3P 5.06329
104 6D5X 5AD 5.10204
105 1L0I PSR 5.12821
106 3B9Z CO2 5.14139
107 3HP9 CF1 5.14139
108 2WZF BGC 5.14139
109 3T3Z 9PL 5.14139
110 1QFT HSM 5.14286
111 6BMS POV 5.27859
112 5LX9 OLB 5.28169
113 1USI PHE 5.49133
114 1T0S BML 5.65553
115 5OSW DIU 5.65553
116 2JK0 ASP 5.65553
117 1ZEI CRS 5.66038
118 2HYQ MAN MAN 5.7377
119 2HYR BGC GLC 5.7377
120 3O01 DXC 5.84416
121 2Q4X HMH 5.88235
122 1ZPD CIT 5.9126
123 1NAA ABL 5.9126
124 1NAA 6FA 5.9126
125 5ZKC 3C0 5.93824
126 5TQZ GLC 6
127 1RQ2 CIT 6.02094
128 3NJQ NJQ 6.21762
129 3N7S 3N7 6.25
130 6HL7 CP 6.32184
131 4IGQ OGA 6.38889
132 4ADC PLP 6.40394
133 5CIC 51R 6.48148
134 5OLK DTP 6.51163
135 3ZBQ GDP 6.60661
136 5C1M CLR 6.75676
137 4PVR ASP 6.77419
138 1W5F G2P 6.79887
139 4WGF HX2 6.82927
140 1NC2 DOE 6.97674
141 1P77 ATR 6.98529
142 5YRG BGC GLC 7.04225
143 5C9J DAO 7.07071
144 3FIU AMP 7.22892
145 2HJR CIT 7.31707
146 1W0O SIA 7.45501
147 5DCH 1YO 7.8125
148 3KO0 TFP 7.92079
149 1A8U BEZ 7.94224
150 5UC1 486 8.10811
151 2YVF FAD 8.22622
152 2YVF NAD 8.22622
153 4A59 AMP 8.22622
154 5MW4 5JU 8.38323
155 5LXT GDP 8.39161
156 5LXT 7AK 8.39161
157 5LXT GTP 8.39161
158 5V4R MGT 8.64198
159 2H7C SIA 8.74036
160 4M52 FAD 8.79828
161 4M52 M52 8.79828
162 3T95 PAV 8.95522
163 2IOY RIP 9.18728
164 4URX FK1 9.18919
165 2YJP CYS 9.27835
166 1Y75 NAG 9.32203
167 3ZQE DXC 9.5082
168 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 10.1639
169 1Q3A NGH 10.303
170 5YRJ BGC GLC 10.5634
171 3B6C SDN 10.6838
172 3TL1 JRO 10.6918
173 4AIG FLX 10.9453
174 5CHR 4NC 11.6788
175 1ZK7 FAD 11.8252
176 1M0S CIT 11.8721
177 5HCV 60R 12.0623
178 2A3I C0R 12.253
179 3AJM 4IP 12.6761
180 5LWY OLB 14.0187
181 1P4V GLY 14.2373
182 3RYC GDP 14.6853
183 3RYC GTP 14.6853
184 4UBS DIF 15.6812
185 5MWE TCE 16.0494
186 2EA1 GPG 16.3265
187 3BJC WAN 16.4524
188 3CB2 GDP 17.9949
189 4DXD GDP 18.509
190 5Z84 CHD 19.1489
191 5ZCO CHD 19.1489
192 5W97 CHD 19.1489
193 2VAP GDP 19.5055
194 2R75 01G 19.5266
195 5XDT MB3 23.3766
196 5XDT GDP 23.3766
197 4OGQ 7PH 23.5294
198 3M89 GSP 23.9075
199 1RV1 IMZ 24.7059
200 2Y69 CHD 25
201 1OFU GDP 30.9375
202 2RHO GSP 35.6923
203 2RHO GDP 35.6923
Pocket No.: 2; Query (leader) PDB : 4EI7; Ligand: GDP; Similar sites found with APoc: 62
This union binding pocket(no: 2) in the query (biounit: 4ei7.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 1.02828
2 1IXI 2HP 1.28535
3 1ZDQ MSM 1.28535
4 1W62 PYC 1.54242
5 4E70 N7I 1.54639
6 4SGA ACE PRO ALA PRO PHE 1.65746
7 5O22 C3R 1.7301
8 1H3F TYE 1.79949
9 3GD4 FAD 1.95695
10 2QJT AMP 1.98864
11 4ISS TAR 2.05656
12 3TDC 0EU 2.05656
13 2G50 ALA 2.05656
14 4Z7X 3CX 2.10084
15 4G86 BNT 2.11268
16 5UC9 MYR 2.21239
17 2A8X FAD 2.57069
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.72109
19 1IZC PYR 2.94985
20 4MRP GSH 3.08483
21 1R55 097 3.27103
22 4MOP 2H5 3.47551
23 5T96 79J 3.50877
24 3X27 TRP 3.59897
25 1MO9 FAD 3.59897
26 5MIT NAP 3.66972
27 5MIT FAD 3.66972
28 5XQL C2E 3.78007
29 3CGD FAD 3.85604
30 3RNM FAD 4.11311
31 3NB0 G6P 4.37018
32 4USI AKG 4.54545
33 4YSX MLI 4.60993
34 3UUA 0CZ 4.78088
35 1OYF MHN 4.95868
36 4ZTD ALA GLY ALA GLY ALA 5.13834
37 1YB5 NAP 5.39846
38 1GXS BEZ 5.55556
39 4YMZ 13P 5.57769
40 4JDR FAD 5.65553
41 2GUC MAN 5.7377
42 2GUD MAN 5.7377
43 2GUD BMA 5.7377
44 2NU5 NAG 5.7377
45 2NUO BGC 5.7377
46 3GD8 GOL 5.8296
47 4M00 SUC 6.28466
48 4JCA CIT 6.58683
49 1MID LAP 6.59341
50 5HTX ADP 7.19794
51 4N82 FMN 7.30337
52 5EO8 TFU 7.3955
53 5OD2 GLC 7.86026
54 3ZF8 GDP 8.52459
55 3TAO PGH 8.61423
56 2Q8G AZX 8.99743
57 2I5F 5IP 9.17431
58 1PJS NAD 9.76864
59 5YRM BGC GLC 10.5634
60 5YRL GLC GLC 10.5634
61 3NZ1 3NY 12.6437
62 2F5Z FAD 17.1875
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