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Receptor
PDB id Resolution Class Description Source Keywords
4C2G 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF CTPB(S309A) IN COMPLEX WITH A PEPTIDE H VAL-PRO-ALA C-TERMINUS BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE-PEPTIDE COMPLEX PDZ-PROTEASES ALLOSTERIC REGULATCONFORMATIONAL SWITCH SPORULATION PROTEOLYTIC TUNNEL
Ref.: CTPB ASSEMBLES A GATED PROTEASE TUNNEL REGULATING C SIGNALING DURING SPORE FORMATION IN BACILLUS SUBTIL CELL(CAMBRIDGE,MASS.) V. 155 647 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA ALA ALA B:3;
Valid;
none;
submit data
287.34 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C2G 1.9 Å EC: 3.4.21.102 CRYSTAL STRUCTURE OF CTPB(S309A) IN COMPLEX WITH A PEPTIDE H VAL-PRO-ALA C-TERMINUS BACILLUS SUBTILIS SUBSP. SUBTILIS STR.ORGANISM_TAXID: 224308 HYDROLASE-PEPTIDE COMPLEX PDZ-PROTEASES ALLOSTERIC REGULATCONFORMATIONAL SWITCH SPORULATION PROTEOLYTIC TUNNEL
Ref.: CTPB ASSEMBLES A GATED PROTEASE TUNNEL REGULATING C SIGNALING DURING SPORE FORMATION IN BACILLUS SUBTIL CELL(CAMBRIDGE,MASS.) V. 155 647 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C2G - ALA ALA ALA ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA ALA ALA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ALA ALA ALA 1 1
2 ALA ALA ALA ALA 1 1
3 ALA ALA ALA ALA ALA ALA ALA 0.615385 0.923077
4 ALA ALA SER ALA SER ALA 0.591837 0.648649
5 ALA ALA ALA 0.589744 0.923077
6 ALA GLY GLY ALA ALA ALA ALA ALA 0.566038 0.705882
7 ALA GLY ALA ALA 0.541667 0.727273
8 ALA LYS ALA ALA 0.537037 0.685714
9 ALA VAL ALA 0.5 0.92
10 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.462963 0.75
11 DAL DAL 0.461538 0.846154
12 ALA ALA 0.461538 0.846154
13 ALA GLU ALA ALA GLN ALA 0.460317 0.705882
14 ALA ALA ALA ALA SER ALA ALA 0.45283 0.648649
15 ALA THR ALA ALA 0.44 0.774194
16 ALA ALA PHE 0.421053 0.766667
17 ALA ALA CE7 0.42 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C2G; Ligand: ALA ALA ALA ALA; Similar sites found with APoc: 174
This union binding pocket(no: 1) in the query (biounit: 4c2g.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5XFV FMN 1.49701
2 5HSA FAS 1.56951
3 5LRT ADP 1.56951
4 3C3N FMN 1.60256
5 3D78 NBB 1.68067
6 1V59 FAD 1.79372
7 2UUU FAD 1.79372
8 3AB1 FAD 1.94444
9 4Z5W TYS ILE TYS THR GLN 2.01794
10 1IUP ALQ 2.12766
11 1G5N UAP SGN IDS SGN 2.20126
12 2ZXI FAD 2.24215
13 5ZRR 9J3 2.26415
14 2AHR NAP 2.3166
15 2FFQ GSP 2.33918
16 5BRT CH9 2.46637
17 5BRT FAD 2.46637
18 4CIB 7UZ 2.46637
19 3OZ2 FAD 2.51889
20 2XTZ GSP 2.54237
21 2Z48 A2G 2.5463
22 1JXZ BCA 2.60223
23 1NZY BCA 2.60223
24 4X9M FAD 2.63158
25 5JJU AMP 2.64706
26 1U7T TDT 2.68199
27 4NTC FAD 2.68657
28 4WZ8 3W7 2.69058
29 3CGB FAD 2.9148
30 3CGD NAD 2.9148
31 5VN0 FAD 2.9148
32 4YKG NAD 2.9148
33 4YKG FAD 2.9148
34 3NTA FAD 2.9148
35 5MRH Q9Z 2.9148
36 3NT6 FAD 2.9148
37 2G2Y MLI 2.92208
38 5XJ7 87O 2.98507
39 4QIJ 1HA 2.99401
40 1Q3A NGH 3.0303
41 2ZL4 ALA ALA ALA ALA 3.06122
42 2NV2 GLN 3.06122
43 1XRO LEU 3.07167
44 1Q0S SAH 3.0888
45 1E7S NAP 3.11526
46 2IV2 MGD 3.13901
47 3EYA TDP 3.13901
48 2IV2 2MD 3.13901
49 3HMO STU 3.21637
50 4G9E C4L 3.22581
51 4IZY 1J2 3.25203
52 1WHT BZS 3.26797
53 4FWE FAD 3.36323
54 4ZEI LAO 3.36323
55 2WOX NDP 3.36323
56 1ZC3 GNP 3.42857
57 4V1F BQ1 3.48837
58 6IKG MET ALA ALA 3.5061
59 5N87 N66 3.51438
60 4L8F MTX 3.52564
61 5ZYN FAD 3.58744
62 1EZ0 NAP 3.58744
63 3R6K FUC GAL GLA 3.60656
64 1QXO FMN 3.60825
65 1V35 NAI 3.64742
66 5MIT FAD 3.66972
67 5MIT NAP 3.66972
68 3NYC FAD 3.67454
69 3NYC IAR 3.67454
70 4RIF 3R2 3.69393
71 5O0B 9FE 3.7037
72 1VCO GLN 3.81166
73 1NNU TCT 3.93013
74 1NNU NAD 3.93013
75 4R57 ACO 3.97727
76 3GD4 FAD 4.03587
77 1GQ2 NAP 4.03587
78 1GPM CIT 4.03587
79 1LTH NAD 4.07523
80 3H8V ATP 4.10959
81 1YKI NFZ 4.14747
82 1YKI FMN 4.14747
83 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 4.16667
84 2VHW NAI 4.24403
85 5EH0 5NW 4.26357
86 4J56 FAD 4.38596
87 1PVC ILE SER GLU VAL 4.41176
88 2CDU FAD 4.4843
89 6A4R ASP 4.5283
90 2WZM NA7 4.59364
91 1A8U BEZ 4.69314
92 4XDY NAI 4.73373
93 3GGO NAI 4.77707
94 1OVD FMN 4.82315
95 1OVD ORO 4.82315
96 4HSU FAD 4.83871
97 2Q7V FAD 4.92308
98 5JCA FAD 4.92958
99 3ICS FAD 4.93274
100 4PYW ACE THR THR ALA ILE NH2 4.9505
101 3B9Q MLI 4.96689
102 4JNA FAD 5
103 4R2M ANP 5.06329
104 5N5U 7N8 5.09554
105 4I42 1HA 5.26316
106 5T96 79J 5.26316
107 4YRY FAD 5.43478
108 2VSU ACO 5.45455
109 3SBZ MLI 5.55556
110 2GAG NAD 5.71429
111 5XH2 NPO 5.72519
112 1GZ4 ATP 5.80762
113 5MTE BB2 5.83942
114 1M26 GAL A2G 6.01504
115 5MQ5 ASP 6.0241
116 1PVS 7HP 6.02837
117 5W4W 9WG 6.0423
118 4EBZ NAG NAG NAG NAG 6.13208
119 4I4Z 2NE 6.18182
120 2J4K U5P 6.19469
121 3DCM SAM 6.25
122 1BKC INN 6.25
123 1LLF F23 6.27803
124 1L6O SER LEU LYS LEU MET THR THR VAL 6.31579
125 2Z3U CRR 6.50224
126 4JE7 BB2 6.59898
127 5NNS AKR 6.66667
128 1IHU ADP 6.72646
129 1IHU AF3 6.72646
130 1KQF MGD 6.72646
131 3M6P BB2 6.73575
132 4LO6 SIA GAL 6.84211
133 5DUF G7A 7.22433
134 1A8S PPI 7.69231
135 1V3S ATP 7.75862
136 1RL4 BRR 8.07175
137 1EK6 UPG 8.33333
138 1EK6 NAI 8.33333
139 3UWB BB2 8.44156
140 3KIF GDL 8.49057
141 4GN8 ASO 8.69565
142 4MYD 164 8.73016
143 1YZQ GNP 8.82353
144 3ITJ FAD 8.87574
145 2Y8E GNP 8.93855
146 4AIG FLX 8.95522
147 1P9P SAH 9.1954
148 4YCA NDP 9.52381
149 3I7V B4P 9.70149
150 5HI5 63Q 9.84848
151 5A04 BGC 10.0295
152 1G27 BB1 10.119
153 2BII MTV 10.6132
154 1H65 GDP 10.7407
155 5AOA PPI 10.8392
156 1U2Z SAH 11.0855
157 1D7O TCL 11.1111
158 1D7O NAD 11.1111
159 1YJQ NAP 11.2211
160 1RM8 BAT 11.2426
161 3NZW BOC TY5 ALA RE0 ABN 11.6279
162 5T79 NDP 12.0482
163 5XDT MB3 12.3377
164 6H39 FGY 12.7551
165 4G4S LDZ 12.7551
166 5J60 FAD 13.4375
167 1WG8 SAM 14.0351
168 3NCQ ATP 14.2857
169 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 14.7368
170 5L95 AMP 15
171 2D1S SLU 18.3857
172 5LEF GTP 27.2727
173 3RI1 3RH 33.3333
174 4BV6 FAD 41.6667
175 3AD8 NAD 50
176 5MZY 8EZ 50
177 1DUB CAA 50
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