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Receptor
PDB id Resolution Class Description Source Keywords
3H7J 1.87 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACB, AN ENZYME INVOLVED IN BACILYSIN S IN MONOCLINIC FORM BACILLUS SUBTILIS BACB YWFC BACILYSIN SYNTHESIS ANTICAPSIN SYNTHESIS BI-CUDOUBLE STRANDED BETA HELIX ANTIBIOTIC BIOSYNTHESIS BIOSYNPROTEIN
Ref.: ROLE OF BACILLUS SUBTILIS BACB IN THE SYNTHESIS OF J.BIOL.CHEM. V. 284 31882 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:244;
A:245;
B:244;
B:245;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
FE A:247;
A:248;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
PPY A:246;
B:246;
Valid;
Valid;
none;
none;
submit data
164.158 C9 H8 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H7J 1.87 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACB, AN ENZYME INVOLVED IN BACILYSIN S IN MONOCLINIC FORM BACILLUS SUBTILIS BACB YWFC BACILYSIN SYNTHESIS ANTICAPSIN SYNTHESIS BI-CUDOUBLE STRANDED BETA HELIX ANTIBIOTIC BIOSYNTHESIS BIOSYNPROTEIN
Ref.: ROLE OF BACILLUS SUBTILIS BACB IN THE SYNTHESIS OF J.BIOL.CHEM. V. 284 31882 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3H7J - PPY C9 H8 O3 c1ccc(cc1)....
2 3H7Y - PPY C9 H8 O3 c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3H7J - PPY C9 H8 O3 c1ccc(cc1)....
2 3H7Y - PPY C9 H8 O3 c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3H7J - PPY C9 H8 O3 c1ccc(cc1)....
2 3H7Y - PPY C9 H8 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPY; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PPY 1 1
2 PAC 0.612903 0.666667
3 ENO 0.542857 0.772727
4 KPV 0.461538 0.85
5 HCI 0.432432 0.631579
6 HF2 0.410256 0.8
7 HFA 0.410256 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H7J; Ligand: PPY; Similar sites found with APoc: 185
This union binding pocket(no: 1) in the query (biounit: 3h7j.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5ANU 58T 1.26582
2 1FHW I5P 1.55039
3 3WV6 GAL BGC 1.64609
4 5FQK 6NT 1.64609
5 3AVR OGA 1.64609
6 1R5L VIV 1.64609
7 6FUL E7Z 1.64609
8 1QXW M1C 1.64609
9 5I0U DCY 2
10 1OS7 AKG 2.05761
11 5NCJ SIN 2.05761
12 4KWD JF2 2.05761
13 1OS7 TAU 2.05761
14 5NCJ HL5 2.05761
15 5Y4K AKR 2.05761
16 2YAK OSV 2.05761
17 2Z77 HE7 2.15827
18 3W8X FAD 2.35043
19 5C3R AKG 2.46914
20 5C3R HMU 2.46914
21 5L6G XYP 2.46914
22 4BG1 OGA 2.46914
23 4BG1 IVL 2.46914
24 2A1X AKG 2.46914
25 4NAO AKG 2.46914
26 1OIJ AKG 2.46914
27 1OIK C26 2.46914
28 4OKZ 3E9 2.46914
29 1OIK AKG 2.46914
30 5FWJ MMK 2.46914
31 4ZU4 4TG 2.7027
32 4OCT AKG 2.7027
33 6EOZ 58K 2.88066
34 6EOZ AKG 2.88066
35 1GQG DCD 2.88066
36 2WSA 646 2.88066
37 2WSA MYA 2.88066
38 2Z81 PCJ 2.88066
39 5U6C 7YS 2.88066
40 3ILR SGN IXD 3.24324
41 4IE6 UN9 3.29218
42 1GP6 QUE 3.29218
43 5GLT BGC GAL NAG GAL 3.29218
44 1GP6 SIN 3.29218
45 1GP6 DH2 3.29218
46 4OJ8 AKG 3.29218
47 2RDQ AKG 3.29218
48 3ZGJ RMN 3.29218
49 1NX4 AKG 3.29218
50 4OJ8 2TQ 3.29218
51 2GWH PCI 3.29218
52 2IUW AKG 3.36134
53 1IS3 LAT 3.7037
54 3N9O OGA 3.7037
55 3N9P OGA 3.7037
56 4LIT AKG 3.7037
57 3PUR 2HG 3.7037
58 6F6J CUW 3.7037
59 6F6J SIN 3.7037
60 5L1O 7PF 3.7037
61 3N9Q OGA 3.7037
62 5FLJ QUE 3.76344
63 2D6M LBT 3.77358
64 2AMT GPP 3.77358
65 5XEG AKG 3.8961
66 5NFB 8VT 3.97727
67 4L4J NAG NAG BMA MAN NAG 4.0724
68 6D61 4AA 4.10256
69 6F6D AKG 4.11523
70 5F3I 5UJ 4.11523
71 5FWE OGA 4.11523
72 5LY2 OGA 4.11523
73 4XCB HY0 4.11523
74 5FP3 3JI 4.11523
75 5EOB 5QQ 4.11523
76 4XCB AKG 4.11523
77 6H8P OGA 4.11523
78 3KDU NKS 4.11523
79 1J3R 6PG 4.21053
80 5H9P TD2 4.43038
81 4RFR RHN 4.4335
82 6GNO XDI 4.44444
83 4Q0P 0MK 4.52675
84 5NW7 9C2 4.52675
85 1ELI PYC 4.52675
86 2FDW D3G 4.52675
87 2ARC ARA 4.87805
88 3WW2 SF6 4.93827
89 3WW2 LPK 4.93827
90 2FCU AKG 4.93827
91 5ZM4 9FU 4.93827
92 5ZM4 AKG 4.93827
93 4QDC ASD 4.93827
94 4R38 RBF 5
95 4JZR 4JR 5.09259
96 1A78 TDG 5.22388
97 4P7X AKG 5.34979
98 4P7X YCP 5.34979
99 2OG7 SIN 5.34979
100 4S00 AKR 5.34979
101 4NPL AKG 5.34979
102 2ZAT NAP 5.34979
103 3BW2 FMN 5.34979
104 5ML3 DL3 5.36913
105 5O9W AKG 5.76132
106 4YVN EBS 5.76132
107 6F4T OGA 5.76132
108 5X7Q GLC GLC GLC GLC GLC 5.76132
109 2QJY UQ2 5.76132
110 5X7Q GLC GLC GLC GLC 5.76132
111 1C1L GAL BGC 5.83942
112 1QIN GIP 6.01093
113 2P7Q GG6 6.01504
114 3HQR OGA 6.09756
115 5C5T AKG 6.14035
116 2TPS TPS 6.1674
117 5OX6 A1Z 6.17284
118 4CCK OGA 6.17284
119 4CCO OGA 6.17284
120 4CCN OGA 6.17284
121 4Y3O OGA 6.17284
122 2JIG PD2 6.25
123 5U55 S0H 6.31579
124 5UWA 8ND 6.40394
125 5A3T MMK 6.58436
126 5IVE 6E8 6.58436
127 1LRH NLA 6.74847
128 5HV0 AKG 6.91244
129 4WVW SLT 6.94444
130 1VKF CIT 6.99588
131 5U98 1KX 7.07071
132 4Y24 TD2 7.14286
133 5AIG VPR 7.2
134 3WUC GLC GAL 7.29927
135 3MPB FRU 7.31707
136 4BXF AKG 7.40741
137 4UWJ 7L5 7.40741
138 4UWJ MYA 7.40741
139 1SLT NDG GAL 7.46269
140 2YNE NHW 7.81893
141 2YNE YNE 7.81893
142 4YZC STU 7.81893
143 4F7E 0SH 8.16327
144 3OYW TDG 8.20895
145 4M26 AKG 8.51648
146 4M26 ZZU 8.51648
147 4M26 SIN 8.51648
148 2Y0I AKG 9.0535
149 2WA4 069 9.0535
150 2XUM OGA 9.0535
151 4B7E OGA 9.0535
152 5JWP AKG 9.0535
153 1DRY AKG 9.46502
154 1DRY AAG 9.46502
155 5DRB 5FJ 9.46502
156 1H2M OGA 9.61539
157 3ZXE PGZ 9.77444
158 1LLF F23 9.87654
159 2ET1 GLV 9.95025
160 1ODM ASV 9.96979
161 3G08 FEE 10.101
162 1UNB PN1 10.2881
163 6FXR AKG 10.2881
164 1UNB AKG 10.2881
165 5OO5 UUA 10.4839
166 4N14 WR7 10.6996
167 3NV3 GAL NAG MAN 10.8696
168 3OPT AKG 10.992
169 1ZHX HC3 11.1111
170 1H2K OGA 12.1951
171 3NKT 1HN 12.3457
172 3SCH TB6 12.6263
173 1ZZ7 S0H 13.1313
174 2GC0 PAN 14.3617
175 3VHH VHH 17.0732
176 5TFZ 7BC 17.3333
177 1Y9Q MED 18.5185
178 5FP4 YC8 18.93
179 5JSP DQY 20.398
180 4QM9 CYS 23.1214
181 3P3N AKG 30
182 2P5B OGA 31.8182
183 2Q8E OGA 37.5
184 2OS2 OGA 45.4545
185 4QXB OGA 46.6667
186 2YBP 2HG 50
Pocket No.: 2; Query (leader) PDB : 3H7J; Ligand: PPY; Similar sites found with APoc: 59
This union binding pocket(no: 2) in the query (biounit: 3h7j.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR6 8KM None
2 1ULE GLA GAL NAG None
3 1IOW ADP 1.64609
4 1IOW PHY 1.64609
5 5NEA 8V8 2.05761
6 6FU4 HSM 2.05761
7 4D52 GXL 2.46914
8 4D52 GIV 2.46914
9 4D4U FUC GAL 2.46914
10 4YGF AZM 2.46914
11 4OPC PGT 2.88066
12 4OPC FDA 2.88066
13 1DMY AZM 2.88066
14 3NW7 LGV 2.88066
15 2BO4 FLC 2.88066
16 6CEP OXM 2.88066
17 5XWV 8H6 2.88066
18 2AGC DAO 3.08642
19 3A16 PXO 3.29218
20 3PFG SAM 3.29218
21 3PFG TLO 3.29218
22 1AUA BOG 3.29218
23 2CW6 3HG 3.29218
24 4KBA 1QM 3.32326
25 4R5Z SIN 3.7037
26 5CDH TLA 3.7037
27 5YBL AKG 3.7037
28 3A70 NPO 3.7037
29 1FAO 4IP 3.96825
30 5N87 N66 4.11523
31 2GJ5 VD3 4.32099
32 3GM5 CIT 4.40252
33 5CJF 520 4.52675
34 3VQ2 LP4 LP5 MYR DAO 4.93827
35 1KAH HIS 5.34979
36 4QDF 30Q 5.34979
37 4WUJ FMN 5.44218
38 1Y52 BTN 5.55556
39 2GMH UQ5 5.76132
40 3RUV ANP 5.76132
41 5AEW BNL 5.85106
42 3RGA LSB 6.17284
43 4GJ3 0XP 6.58436
44 2X34 UQ8 6.62983
45 4WVO 3UZ 6.99588
46 4LA7 A1O 6.99588
47 5KD6 6C7 6.99588
48 6MPT C30 7.40741
49 2E27 AB0 8.40336
50 3B00 16A 9.0535
51 3WUD GLC GAL 9.55882
52 4M1U A2G MBG 10
53 5E2N V14 10.6996
54 3PB9 1BN 11.9342
55 6BYM HC3 13.3005
56 2OVW CBI 13.5802
57 5TZO 7V7 15.9574
58 2YMZ LAT 22.3077
59 5A89 ADP 26.9231
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