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Receptor
PDB id Resolution Class Description Source Keywords
5FYR 1.45 Å EC: 7.-.-.- CALCIUM-DEPENDENT PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C F GRAM-NEGATIVE BACTERIUM, PSEUDOMONAS SP, APO FORM, MYOINOSIC OMPLEX PSEUDOMONAS SP. HYDROLASE PI-PLC BACTERIAL PSEUDOMONAS GRAM-NEGATIVE CADEPENDENT MYOINOSITOL COMPLEX
Ref.: THE STRUCTURE OF A CALCIUM-DEPENDENT PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C FROM PSEU SP. 62186, THE FIRST FROM A GRAM-NEGATIVE BACTERIUM ACTA CRYSTALLOGR D STRUCT V. 73 32 2017 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:501;
B:501;
D:501;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
INS D:301;
B:301;
C:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C1(C(...
CA B:401;
C:401;
A:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FYR 1.45 Å EC: 7.-.-.- CALCIUM-DEPENDENT PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C F GRAM-NEGATIVE BACTERIUM, PSEUDOMONAS SP, APO FORM, MYOINOSIC OMPLEX PSEUDOMONAS SP. HYDROLASE PI-PLC BACTERIAL PSEUDOMONAS GRAM-NEGATIVE CADEPENDENT MYOINOSITOL COMPLEX
Ref.: THE STRUCTURE OF A CALCIUM-DEPENDENT PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C FROM PSEU SP. 62186, THE FIRST FROM A GRAM-NEGATIVE BACTERIUM ACTA CRYSTALLOGR D STRUCT V. 73 32 2017 BIOL
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: INS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 INS 1 1
2 YTB 0.416667 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found with APoc: 177
This union binding pocket(no: 1) in the query (biounit: 5fyr.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4I9A NCN 1.38889
2 3E7O 35F 1.67785
3 6GVD FDK 1.67785
4 3H55 GLA 1.67785
5 4UX9 ANP 1.67785
6 1VA6 ADP 1.67785
7 1VA6 P2S 1.67785
8 6EHH 2GE 1.70455
9 3RGA LSB 1.76678
10 2NX1 PEP 1.87266
11 2NX1 RP5 1.87266
12 1H8S AIC 1.98413
13 6FXR AKG 2.01342
14 2FLI DX5 2.27273
15 1DJX I3P 2.34899
16 1WDA BAG 2.34899
17 5JKG 6LF 2.34899
18 4P7X YCP 2.39726
19 4P7X AKG 2.39726
20 2RFZ CTR 2.68456
21 2RG0 CBI 2.68456
22 2RFY CBI 2.68456
23 2GVJ DGB 2.68456
24 5LRT ADP 2.68456
25 5O59 GS1 GLC GS1 2.68456
26 1Q2E MGL SGC GLC GLC 2.68456
27 5OD2 GLC 2.68456
28 1OFD FMN 2.68456
29 4YWV SSN 2.68456
30 2RG0 CTT 2.68456
31 5Y72 DST 2.68456
32 3E2M E2M 2.7027
33 4WH9 3M8 2.73224
34 4X7Y SAH 2.91971
35 2GFD RDA 2.9661
36 6G9I CXX 2.97619
37 4RFM 3P6 3.00752
38 1OLM VTQ 3.02013
39 5N87 N66 3.02013
40 4ZZW CBI 3.02013
41 2FB3 GTP 3.02013
42 5W70 9YM 3.02013
43 3HMO STU 3.02013
44 3EPO MP5 3.02013
45 3IU9 T07 3.125
46 4OMJ 2TX 3.23741
47 2I6A 5I5 3.3557
48 5ZCT ANP 3.3557
49 2IV2 2MD 3.3557
50 1R87 XYP XYP XYP 3.3557
51 4NZF ARB 3.3557
52 3RM4 3RM 3.3557
53 4D1J DGJ 3.3557
54 5OOH 9ZZ 3.39806
55 5OOH NAP 3.39806
56 5TH5 7C5 3.42205
57 5IUW IAC 3.69128
58 3A23 GAL 3.69128
59 4UCF GLA 3.69128
60 2VQD AP2 3.69128
61 4EUO ABU 3.75
62 1GT4 UNA 3.77358
63 2IUW AKG 3.78151
64 4WVO 3UZ 3.8674
65 5I0U DCY 4
66 2CM4 RCL 4
67 7CPA FVF 4.02685
68 1VGV UD1 4.02685
69 4S28 AIR 4.02685
70 4S28 SAH 4.02685
71 1N62 MCN 4.02685
72 5C3R HMU 4.36242
73 5C3R AKG 4.36242
74 3FHQ BMA NGT MAN MAN 4.36242
75 4YVN EBS 4.36242
76 3VZ3 SSN 4.36242
77 6FUL E7Z 4.36242
78 2YNE NHW 4.69799
79 2YNE YNE 4.69799
80 3NC9 TR3 4.69799
81 3TTY GLA 4.69799
82 1D6H COA 4.69799
83 1NSZ GLC 4.69799
84 1BHX ASP PHE GLU GLU ILE 4.7619
85 5HQ0 LZ9 4.7619
86 5D6T NGA 4.77941
87 2IYG FMN 4.83871
88 1X0P FAD 4.8951
89 5UWA 8ND 4.92611
90 1UAS GLA 5.03356
91 4IPM TCB 5.03356
92 1WD4 AHR 5.03356
93 2A4W BLM 5.07246
94 4FE2 AIR 5.09804
95 4FE2 ADP 5.09804
96 6E48 4OA 5.30973
97 4UWJ 7L5 5.36913
98 4UWJ MYA 5.36913
99 3WVR AMP 5.36913
100 1E4E ADP 5.36913
101 4XDA ADP 5.36913
102 1ZHX HC3 5.36913
103 2NV4 SAM 5.44218
104 4R3U 3KK 5.6962
105 4R3U 3HC 5.6962
106 3K5I ADP 5.7047
107 4V20 U63 5.7047
108 4JR7 GNP 5.7047
109 3S5Y DGJ 5.7047
110 3N9R TD3 5.7047
111 3K5I AIR 5.7047
112 6G33 5ID 5.7047
113 4RW3 IPD 6.04027
114 3ZXR P3S 6.04027
115 3ZXR IQ1 6.04027
116 3B1Q NOS 6.04027
117 1UZD CAP 6.04027
118 1RM6 FAD 6.04027
119 5W11 CTR 6.04027
120 4UOZ GLA 6.04027
121 4W9H 3JF 6.18557
122 5NVX 4YY 6.18557
123 1N5D NDP 6.25
124 5YSQ INS 6.29371
125 1QPR PPC 6.33803
126 2CJF RP4 6.36943
127 6CLV 6MB 6.52921
128 3KFC 61X 6.71937
129 5GM5 CBI 6.81818
130 2XN2 GLA 7.04698
131 1RBO CAP 7.31707
132 1IR1 CAP 7.31707
133 5XQW 8EU 7.37327
134 1KQF MGD 7.38255
135 3WG3 A2G GAL NAG FUC 7.86517
136 5HZX 2GE 7.95455
137 4IEN GDP 7.97546
138 4IPH 1FJ 8.13008
139 1TT8 PHB 8.53659
140 2G50 PYR 8.72483
141 4L80 1VU 8.72483
142 1UU6 BGC BGC BGC BGC 8.92857
143 5T9C G3P 8.95522
144 4IE6 UN9 9.0604
145 4QCK ASD 9.0604
146 2HFN FMN 9.15033
147 2GYI HYA 9.73154
148 6B5G NAD 9.73154
149 4WOE 3S5 9.73154
150 5DJU FMN 9.83607
151 1YRX FMN 9.91736
152 4NJH 2K8 10
153 2GJ3 FAD 10
154 4NJH SAM 10
155 1N9L FMN 10.0917
156 5U98 1KX 10.101
157 1SU2 ATP 10.6918
158 4ZXA H8N 10.7143
159 4XF6 ADP 10.989
160 4XF6 INS 10.989
161 4XF6 LIP 10.989
162 4R38 RBF 11.4286
163 2BYC FMN 11.6788
164 1ZEM NAD 12.2137
165 4J7Q B7N 12.4161
166 2YFO GAL 12.7517
167 2YFO GLA 12.7517
168 3PVW QRX 13.5135
169 2WA4 069 14.4295
170 1RBL CAP 14.6789
171 3PG7 PTY 15.2344
172 1IR2 CAP 15.7143
173 2VDH CAP 15.7143
174 5UKL SIX 16.129
175 2QF7 AGS 16.443
176 3ACL 3F1 17.9054
177 2XEM SSV 19.3333
Pocket No.: 2; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found with APoc: 70
This union binding pocket(no: 2) in the query (biounit: 5fyr.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR1 YY9 1.67785
2 1XLI GLT 1.67785
3 5FWJ MMK 1.67785
4 3K60 ADP 1.79372
5 1OAA OAA 1.9305
6 4OKZ 3E9 2.01342
7 3PFD FDA 2.01342
8 5K6A NAP 2.08333
9 4CM4 NAP 2.08333
10 1EYE PMM 2.14286
11 4U7W NDP 2.34899
12 1RF6 GPJ 2.34899
13 1RF6 S3P 2.34899
14 1DY4 SNP 2.68456
15 1KWK GAL 2.68456
16 4CLI 5P8 2.68456
17 4N3A UDP 3.02013
18 1VLJ NAP 3.02013
19 4DPL NAP 3.02013
20 1EGD FAD 3.02013
21 4WNK 453 3.02013
22 3DJV C3P 3.22581
23 4RI1 ACO 3.22581
24 1Z3V LAT 3.3557
25 5HTL C2E 3.44828
26 6D28 NEC 3.663
27 5MZI FAD 3.69128
28 5MZI FYK 3.69128
29 2C94 TSF 3.69128
30 4TMK T5A 3.75587
31 3VBK 0FX 3.90244
32 3VBK COA 3.90244
33 1WDD CAP 3.90625
34 3UST FAD 4.02685
35 5OKG XYT 4.02685
36 3C3N FMN 4.36242
37 4U63 FAD 4.69799
38 3UPY FOM 5.03356
39 5NBW 8SK 5.14019
40 5UIU 8CG 5.26316
41 2RIF AMP 5.67376
42 4P8K 38C 5.7047
43 4P8K FAD 5.7047
44 1V0O INR 5.7047
45 1UZH CAP 6.04027
46 5FIT AP2 6.12245
47 4BKS X6C 6.18557
48 4W9F 3JU 6.18557
49 4B9K TG0 6.18557
50 5OYA CAP 7.19424
51 5N9Z CAP 7.19424
52 3GNI ATP 7.38255
53 4YWA 4J9 7.43802
54 1BGQ RDC 7.55556
55 4QPL V3L 7.74194
56 3VZS CAA 7.7821
57 1BWV CAP 8.69565
58 1T90 NAD 8.72483
59 1L8B MGP 8.94737
60 1TKK ALA GLU 9.0604
61 5A5W GUO 9.09091
62 2UX9 FMN 10.1449
63 5NCF 8T5 10.6195
64 5OBY ANP 11.0738
65 2ZRU FMN 13.0872
66 1GK8 CAP 15.7143
67 2V68 CAP 15.7143
68 2V6A CAP 15.7143
69 2V67 CAP 15.7143
70 2V63 CAP 15.7143
Pocket No.: 3; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found with APoc: 21
This union binding pocket(no: 3) in the query (biounit: 5fyr.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5ANU 58T None
2 3D72 FAD 2.01342
3 1HKK NAA NAA AMI 3.3557
4 5URV NER 3.37838
5 2WQN ADP 3.69128
6 1FA2 DOM 4.02685
7 1KTC NGA 4.02685
8 1Q6D GLC GLC 4.36242
9 4XDA RIB 5.36913
10 6HTO MET 5.7047
11 6HTO 5AD 5.7047
12 5L13 6ZE 5.7047
13 4OUC 5ID 5.7047
14 1U7Z PMT 5.75221
15 1M5W DXP 5.76132
16 4CQE CQE 6.83453
17 6FA4 D1W 7.51445
18 4GJ3 0XP 7.71812
19 2EQA AMP 8.05369
20 4CRL C1I 8.38926
21 5H9O GLC 13.6364
Pocket No.: 4; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 5fyr.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5AE9 OKO 1.67785
2 1FDJ 2FP 2.01342
3 1EQ2 NAP 2.01342
4 2B9J ADP 2.34899
5 3GFZ FMN 2.34899
6 4TX6 38B 2.68456
7 1OFD AKG 2.68456
8 1JJE BYS 3.15315
9 4KCF AKM 3.3557
10 3BZ3 YAM 3.62319
11 2HGS ADP 4.36242
12 5F3I 5UJ 5.36913
13 4QDF 30Q 7.04698
14 3C0G 3AM 8.72483
15 5TBM 79A 15.3846
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