Receptor
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PG A:2001;
Invalid;
none;
submit data
252.305 C11 H24 O6 COCCO...
ADL B:1001;
Valid;
none;
submit data
284.263 C16 H12 O5 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ADL 1 1
2 OAL 0.442857 0.965517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N5S; Ligand: ADL; Similar sites found: 214
This union binding pocket(no: 1) in the query (biounit: 1n5s.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YMZ LAT 0.00007023 0.53052 None
2 1ULE GLA GAL NAG 0.0007598 0.4767 None
3 3QRC SCR 0.0001865 0.46929 None
4 1ERB ETR 0.0005932 0.46867 None
5 2X32 OTP 0.001845 0.4673 None
6 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.0001923 0.4544 None
7 1DZK PRZ 0.0007682 0.44576 None
8 5ML3 DL3 0.003319 0.44557 None
9 1U0A BGC BGC BGC BGC 0.001233 0.43665 None
10 3VQ2 LP4 LP5 MYR DAO 0.007029 0.43493 None
11 5IXG OTP 0.01105 0.42798 None
12 1WUB OTP 0.0101 0.4272 None
13 2WMC MGP 0.01248 0.425 None
14 3KP6 SAL 0.007013 0.42475 None
15 4JH6 FCN 0.005786 0.42397 None
16 2QO4 CHD 0.007091 0.42126 None
17 2GJ5 VD3 0.01139 0.41971 None
18 1OGZ EQU 0.005926 0.41444 None
19 2P3B 3TL 0.02141 0.40742 None
20 4XCP PLM 0.01795 0.40551 None
21 4XMF HSM 0.006041 0.4047 None
22 4QYN RTL 0.01042 0.40467 None
23 1LFO OLA 0.003289 0.40456 None
24 4BJ8 BTN 0.007073 0.40301 None
25 2YIP YIO 0.02224 0.40294 None
26 4O9S 2RY 0.0005515 0.40251 None
27 5W10 CMP 0.009292 0.40168 None
28 2P7Q GG6 0.002261 0.40091 None
29 4Q5M ROC 0.02239 0.40008 None
30 5IXH OTP 0.003529 0.44958 1.78571
31 1GZW GAL BGC 0.002146 0.44851 1.78571
32 4L4J NAG NAG BMA MAN NAG 0.003974 0.43143 1.78571
33 5AIG VPR 0.005067 0.42205 1.78571
34 4Y24 TD2 0.001564 0.41511 1.78571
35 3HEE R5P 0.0106 0.41107 1.78571
36 3OYW TDG 0.001424 0.40729 1.78571
37 5HA0 LTD 0.01177 0.40681 1.78571
38 1QY1 PRZ 0.0001031 0.49405 2.67857
39 3PUR 2HG 0.006865 0.42813 2.67857
40 2YNE YNE 0.02955 0.42633 2.67857
41 2YNE NHW 0.02955 0.42633 2.67857
42 1EPB REA 0.002516 0.42293 2.67857
43 1KGI T4A 0.006988 0.41425 2.67857
44 4HIA FMN 0.0154 0.41126 2.67857
45 3KRR DQX 0.04342 0.40797 2.67857
46 3TAY MN0 0.01125 0.40625 2.67857
47 3R6U CHT 0.001082 0.46239 3.57143
48 2WA4 069 0.0006074 0.46042 3.57143
49 3QCQ 3Q0 0.01498 0.44193 3.57143
50 3P3N AKG 0.007264 0.42533 3.57143
51 1H2M OGA 0.007371 0.42389 3.57143
52 1H2K OGA 0.007999 0.42189 3.57143
53 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03873 0.41055 3.57143
54 1ZM1 BGC BGC BGC 0.004904 0.41007 3.57143
55 4C2V YJA 0.01626 0.40426 3.57143
56 1UNB AKG 0.0002712 0.40058 3.57143
57 5BU3 4W9 0.004325 0.42039 4.34783
58 2ET1 GLV 0.0006459 0.47962 4.46429
59 1C1L GAL BGC 0.0008649 0.47281 4.46429
60 4OCT AKG 0.0006778 0.46368 4.46429
61 5U98 1KX 0.005881 0.45038 4.46429
62 4X6F 3XU 0.003049 0.44956 4.46429
63 2VFT SOR 0.001607 0.44582 4.46429
64 2HZQ STR 0.003504 0.44321 4.46429
65 3PUA OGA 0.003637 0.44199 4.46429
66 5LUN ARG 0.002607 0.4372 4.46429
67 3AGC RCC 0.002885 0.43671 4.46429
68 1Y52 BTN 0.008017 0.43213 4.46429
69 5LUN OGA 0.0003475 0.43003 4.46429
70 1NSZ GLC 0.006102 0.42283 4.46429
71 5H2D ERG 0.004956 0.41944 4.46429
72 1GQG DCD 0.005355 0.4179 4.46429
73 3B9Z CO2 0.02787 0.4149 4.46429
74 2Q7D ANP 0.00876 0.41277 4.46429
75 2Y6Q I7T 0.02474 0.41219 4.46429
76 2WT2 GAL NAG GAL NAG GAL NAG 0.008765 0.41127 4.46429
77 2R5V HHH 0.007542 0.40956 4.46429
78 4BVM PLM 0.007818 0.40868 4.46429
79 4BVM VCA 0.008513 0.40868 4.46429
80 5BYZ 4WE 0.0153 0.40676 4.46429
81 2A4W BLM 0.01757 0.40139 4.46429
82 4BCS BTN 0.00799 0.40066 4.46429
83 4GCZ FMN 0.009906 0.40043 4.46429
84 1ZB6 DIN 0.000119 0.50288 5.35714
85 1ZB6 GST 0.0001294 0.50288 5.35714
86 1ODM ASV 0.0001955 0.48746 5.35714
87 2ZHL NAG GAL GAL NAG 0.0002379 0.47932 5.35714
88 4IMO PWZ 0.002859 0.44368 5.35714
89 4JE5 PLP 0.002343 0.43803 5.35714
90 4JE5 PMP 0.002567 0.43614 5.35714
91 3RGA LSB 0.001409 0.43408 5.35714
92 2GC0 PAN 0.001081 0.43167 5.35714
93 4J25 OGA 0.006098 0.43009 5.35714
94 3FW4 CAQ 0.003517 0.42959 5.35714
95 5T7I LAT NAG GAL 0.0001404 0.42941 5.35714
96 5JSP DQY 0.0003446 0.4204 5.35714
97 4WN5 MVC 0.005938 0.41585 5.35714
98 3W68 VIV 0.006694 0.41347 5.35714
99 2HOX P1T 0.00325 0.41142 5.35714
100 1YOK P6L 0.01646 0.41093 5.35714
101 5I0U DCY 0.002267 0.40903 5.35714
102 1T27 PCW 0.02455 0.40821 5.35714
103 2Z9I GLY ALA THR VAL 0.02796 0.40351 5.35714
104 4NM5 ADP 0.01259 0.40089 5.35714
105 5FU3 BGC BGC BGC 0.01095 0.41704 5.66038
106 4MNS 2AX 0.00174 0.4695 6.25
107 1W6O LAT 0.00191 0.45358 6.25
108 4RFR RHN 0.0007497 0.4508 6.25
109 5EOB 5QQ 0.005764 0.44703 6.25
110 1W6P NDG GAL 0.002225 0.44371 6.25
111 3LVW GSH 0.006922 0.42907 6.25
112 1OJJ GLC GAL 0.0006041 0.42741 6.25
113 1OJK GLC BGC 0.0006821 0.4256 6.25
114 4IAW LIZ 0.005377 0.42082 6.25
115 2Z77 HE7 0.000684 0.40572 6.25
116 4EIP K2C 0.03572 0.40418 6.25
117 4EIP FAD 0.03572 0.40418 6.25
118 5FP3 3JI 0.013 0.40025 6.25
119 1J0D 5PA 0.01762 0.40001 6.25
120 4H6B 10Y 0.0002856 0.48155 7.14286
121 4H6B 10X 0.0004884 0.46481 7.14286
122 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.001831 0.45559 7.14286
123 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.009275 0.44436 7.14286
124 4GJY OGA 0.003229 0.44336 7.14286
125 3AMN CBI 0.001956 0.43966 7.14286
126 3AMN CBK 0.001956 0.43966 7.14286
127 2NNQ T4B 0.006637 0.43212 7.14286
128 2VJJ RAM GLC GAL NAG NAG GLC 0.007174 0.42484 7.14286
129 4FHD EEM 0.007009 0.42408 7.14286
130 4FHD 0TT 0.007009 0.42408 7.14286
131 3SAO NKN 0.0025 0.41817 7.14286
132 2YKL NLD 0.006266 0.41331 7.14286
133 4J7Q B7N 0.01005 0.41 7.14286
134 3MF2 AMP 0.008964 0.40766 7.14286
135 5FRE SIA GAL 0.02075 0.40372 7.14286
136 4AZP A9M 0.01377 0.40067 7.14286
137 4K55 H6P 0.0000855 0.40104 7.25806
138 2XMY CDK 0.0001046 0.5423 8.03571
139 3KFF XBT 0.0001262 0.51237 8.03571
140 3KFF ZBT 0.0001262 0.51237 8.03571
141 2A1L PCW 0.004387 0.44592 8.03571
142 1DY4 SNP 0.0134 0.43358 8.03571
143 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.007169 0.42721 8.03571
144 1UU6 BGC BGC BGC BGC 0.005859 0.42089 8.03571
145 4YZC STU 0.01091 0.41956 8.03571
146 5N87 N66 0.01212 0.41627 8.03571
147 3X00 ZOF ZOF EDN 0.0408 0.41337 8.03571
148 3X00 ZOF EDN ZOF 0.03983 0.41337 8.03571
149 5D48 L96 0.01153 0.40723 8.03571
150 5FBN 5WF 0.01771 0.40611 8.03571
151 5A89 ADP 0.02826 0.4043 8.03571
152 3FW9 SLX 0.0005017 0.45863 8.92857
153 3ZXE PGZ 0.0001616 0.41757 8.92857
154 4XT2 43L 0.0009016 0.41581 8.92857
155 4H69 10Y 0.004955 0.41385 8.92857
156 4YLZ LAT NAG GAL 0.0005966 0.40683 8.92857
157 2OVW CBI 0.0009005 0.46954 9.82143
158 2CDO GAL AAL GAL AAL GAL AAL 0.0024 0.46275 9.82143
159 3VHH VHH 0.003187 0.46232 9.82143
160 1GP6 QUE 0.004315 0.42706 9.82143
161 1GP6 SIN 0.004442 0.42492 9.82143
162 1GP6 DH2 0.004442 0.42492 9.82143
163 1OLM VTQ 0.008374 0.41512 9.82143
164 4BQY FNT 0.001377 0.41503 9.82143
165 2ZYJ PGU 0.01125 0.40913 9.82143
166 3LSJ PLM COA 0.01353 0.40673 9.82143
167 3ZGJ RMN 0.01619 0.40641 9.82143
168 5L9B AKG 0.01454 0.40433 9.82143
169 4D4U FUC GAL NDG FUC 0.01273 0.40294 9.82143
170 3HQR OGA 0.004726 0.40189 9.82143
171 1ZP9 ATP 0.008247 0.40005 9.82143
172 5E89 TD2 0.00143 0.4338 10.7143
173 5BVE 4VG 0.01723 0.42735 10.7143
174 1Y0G 8PP 0.01762 0.41532 10.7143
175 4OMJ 2TX 0.01161 0.41487 10.7143
176 1H8S AIC 0.01067 0.41093 10.7143
177 5H9P TD2 0.0009254 0.41069 10.7143
178 3E8T UQ8 0.006308 0.44662 11.6071
179 5DEY 59T 0.01921 0.42002 11.6071
180 2X4Z X4Z 0.01153 0.41618 11.6071
181 1VYF OLA 0.008298 0.41081 11.6071
182 3Q8G PEE 0.0008241 0.49017 12.5
183 1AUA BOG 0.008174 0.42139 12.5
184 4TXJ THM 0.007861 0.42046 12.5
185 1J3R 6PG 0.001268 0.41904 12.5
186 4UWJ 7L5 0.01364 0.43513 13.3929
187 4UWJ MYA 0.01364 0.43513 13.3929
188 5J75 6GQ 0.004768 0.40566 13.3929
189 4MP8 NAD 0.00267 0.45125 14.2857
190 3W8X FTK 0.002685 0.41323 14.2857
191 4DE9 VTP 0.002007 0.44844 15.1786
192 3WG3 A2G GAL NAG FUC 0.0005156 0.4249 15.1786
193 5A3T MMK 0.01014 0.41523 15.1786
194 5F3I 5UJ 0.02891 0.4125 15.1786
195 1MEX RAC 0.0008881 0.42518 16.0714
196 2IUW AKG 0.0006286 0.42174 16.0714
197 3PGU OLA 0.001818 0.41544 16.0714
198 5MZI FAD 0.03858 0.41002 16.0714
199 5MZI FYK 0.03964 0.41002 16.0714
200 1MDC PLM 0.00362 0.42567 16.9643
201 1FDQ HXA 0.01283 0.40782 16.9643
202 5DG2 GAL GLC 0.0001059 0.52042 17.8571
203 4D06 NAR 0.001229 0.44521 17.8571
204 5KBZ 3B2 0.02576 0.40047 17.8571
205 5IVE 6E8 0.00851 0.41883 19.6429
206 4ZU4 4TG 0.005761 0.40697 19.6429
207 4FFG LBS 0.007798 0.40777 20.5357
208 5NBW 8SK 0.002507 0.43182 21.4286
209 3WFD AXO 0.01521 0.41863 21.4286
210 3MTX PGT 0.009801 0.41717 23.2143
211 4ZU5 THM 0.004491 0.41177 24.1071
212 1OUK 084 0.02398 0.43692 25.8929
213 3AVR OGA 0.004732 0.43596 31.8182
214 2XK9 XK9 0.02144 0.40432 41.9643
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