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Receptor
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:202;
C:202;
A:202;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
6QF A:201;
B:201;
C:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
196.205 C12 H8 N2 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K21 1.8 Å EC: 7.-.-.- PYOCYANIN DEMETHYLASE MYCOBACTERIUM FORTUITUM SUBSP. FORTUIT46621 = ATCC 6841 DEMETHYLASE PHENAZINE OXIDOREDUCTASE
Ref.: PYOCYANIN DEGRADATION BY A TAUTOMERIZING DEMETHYLAS INHIBITS PSEUDOMONAS AERUGINOSA BIOFILMS. SCIENCE V. 355 170 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
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 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
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 5K21 - 6QF C12 H8 N2 O c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6QF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6QF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K21; Ligand: 6QF; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 5k21.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3FW4 CAQ None
2 3KFF ZBT None
3 3KFF XBT None
4 1KDK DHT None
5 5NIU 8YZ None
6 1QY1 PRZ None
7 5N2F 8HW None
8 3WR7 COA None
9 2FTB OLA None
10 5EZU MYR None
11 1FDQ HXA None
12 1F5F DHT None
13 2GJ5 VD3 None
14 4BVM VCA None
15 2Z6D FMN None
16 4AZP A9M None
17 1AOE NDP 1.41844
18 1AOE GW3 1.41844
19 4R57 ACO 1.41844
20 5Y72 DST 1.41844
21 3ZXE PGZ 1.50376
22 4ZU5 THM 2.12766
23 3E2M E2M 2.12766
24 3OCP CMP 2.15827
25 3STK PLM 2.27273
26 2NNQ T4B 2.29008
27 3D78 NBB 2.52101
28 6CED EYA 2.80374
29 3JUQ AKD 2.83688
30 3OF1 CMP 2.83688
31 2F67 12B 2.83688
32 3RGA LSB 2.83688
33 1ERB ETR 2.83688
34 3JUQ AJD 2.83688
35 4D4U FUC GAL 2.83688
36 2F62 12M 2.83688
37 4D52 GXL 2.83688
38 4D52 GIV 2.83688
39 3P7N FMN 2.83688
40 5D48 L96 3.28947
41 1OLM VTQ 3.5461
42 3PFG TLO 3.5461
43 3PFG SAM 3.5461
44 5FLJ QUE 3.5461
45 1ZB6 GST 3.5461
46 6CDG PRO GLY LEU TRP LYS SER 3.5461
47 3N0Y APC 3.5461
48 3GWT 066 3.5461
49 2WA4 069 3.5461
50 4N14 WR7 3.5461
51 1ZC9 PMP 3.5461
52 4E70 N7I 3.5461
53 5Y02 HBX 3.73832
54 1LFO OLA 3.90625
55 1KGI T4A 3.93701
56 3LJU IP9 4.25532
57 1DZK PRZ 4.25532
58 1V0C KNC 4.25532
59 1V0C ACO 4.25532
60 2X34 UQ8 4.25532
61 2X32 OTP 4.25532
62 5IH1 GDP 4.25532
63 4N02 FNR 4.25532
64 5IH1 6BQ 4.25532
65 3F5K CE5 4.25532
66 5HMR FDZ 4.25532
67 2OBF F83 4.25532
68 3K5I ADP 4.25532
69 5H5A 6OU 4.25532
70 3BLI PYR 4.25532
71 1X0P FAD 4.25532
72 4ZU4 4TG 4.25532
73 5V22 SAH 4.25532
74 2OVW CBI 4.96454
75 5JSP DQY 4.96454
76 4OFG PCG 4.96454
77 4J36 1HR 4.96454
78 3WCA FPS 4.96454
79 5A65 TPP 4.96454
80 5U98 1KX 5.05051
81 1DL7 NCH 5.35714
82 2F01 BTN 5.51181
83 2F01 BTQ 5.51181
84 3PNA CMP 5.67376
85 5UI2 EQ3 5.67376
86 3NRR NAP 5.67376
87 2ZMF CMP 5.67376
88 3FW9 SLX 5.67376
89 1ZM1 BGC BGC BGC 5.67376
90 4D5B ACX 5.67376
91 4I4S LAT 5.67376
92 1YKD CMP 5.67376
93 4AUT FAD 5.67376
94 5A3T MMK 5.67376
95 5NLD LBT 5.7554
96 1EWF PC1 6.38298
97 1WUB OTP 6.38298
98 4V24 GYR 6.38298
99 5OES ADP 6.38298
100 1C5C TK4 6.38298
101 4KU7 PCG 6.38298
102 2DM6 NAP 6.38298
103 1KJ1 MAN 6.42202
104 4B1M FRU FRU 7.02703
105 2OBD 2OB 7.0922
106 5MWK RAM ARA GAL 8PK 8OQ RAM 7.0922
107 5D6T NGA 7.0922
108 3WDX BGC BGC GLC 7.0922
109 1DJN FMN 7.0922
110 2A1L PCW 7.0922
111 2ART LPA AMP 7.0922
112 1N5S ADL 7.14286
113 2A4W BLM 7.24638
114 5M67 ADE 7.80142
115 5M67 NAD 7.80142
116 4MZU TYD 7.80142
117 3O3O 2RH 7.80142
118 1MH5 HAL 7.82609
119 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
120 5NBW 8SK 8.10811
121 1MEX RAC 8.37209
122 5WBF LAC 8.51064
123 4P8K FAD 8.51064
124 4P8K 38C 8.51064
125 4ITH RCM 8.51064
126 3AJH BL3 9.21986
127 1U0A BGC BGC BGC BGC 9.92908
128 3AGC RCC 9.92908
129 4QDC ASD 9.92908
130 5F2T PLM 9.92908
131 5OO5 UUA 10.4839
132 4K2G 1OQ 10.5882
133 4H6B 10Y 10.6383
134 4H6B 10X 10.6383
135 5EQY 5RA 10.6383
136 5LXB 7A9 10.6383
137 5V1B 8UY 10.6383
138 2QM9 TDZ 10.6383
139 5CSD ACD 10.6383
140 3AI0 PNW 10.6383
141 5V03 658 10.7843
142 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 11.2245
143 1Y2F WAI 11.5108
144 1NSZ GLC 12.0567
145 3MF2 AMP 12.766
146 4H2V AMP 12.766
147 4H2X G5A 12.766
148 2Z77 HE7 12.9496
149 2ET1 GLV 13.4752
150 5HGR 45D 13.4752
151 5BU3 4W9 13.4752
152 4WO4 JLS 14.1844
153 1IS3 LAT 14.8148
154 6E08 NAP 14.8936
155 5TUX ECH 14.8936
156 5IXG OTP 14.8936
157 1U72 MTX 15.6028
158 1U72 NDP 15.6028
159 4BG4 ADP 15.6028
160 1Y9Q MED 15.6028
161 2IGA XX3 15.6028
162 2E56 MYR 15.6028
163 1Y0G 8PP 16.3121
164 5EO8 TFU 16.3121
165 4L9Z OXL 16.3121
166 4EIL FOL 17.0213
167 3TKY N7I 17.0213
168 1UNB AKG 17.7305
169 1UNB PN1 17.7305
170 1OJK GLC BGC 19.1489
171 1OJJ GLC GAL 19.1489
172 1ZZ7 S0H 19.1489
173 3RUG DB6 20.202
174 5FKP 6UL 20.202
175 3SCM LGN 20.202
176 3QUZ QUV 20.202
177 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 20.202
178 3WXL ADP 30.4965
179 4H69 10Y 33.3333
180 2DIO EOD 34.0426
Pocket No.: 2; Query (leader) PDB : 5K21; Ligand: 6QF; Similar sites found with APoc: 107
This union binding pocket(no: 2) in the query (biounit: 5k21.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1U70 MTX None
2 1U70 NDP None
3 3TAY MN0 None
4 2YG2 S1P None
5 1TUV VK3 None
6 1NYW DAU None
7 4BVM PLM None
8 5H9Q TD2 1.41844
9 2XK9 XK9 1.41844
10 2YGO PCF 1.41844
11 5FBN 5WF 2.12766
12 4RFR RHN 2.12766
13 4P7X YCP 2.12766
14 4P7X AKG 2.12766
15 4R38 RBF 2.14286
16 2IFB PLM 2.29008
17 2GC0 PAN 2.83688
18 1LN1 DLP 2.83688
19 4MP8 MLI 2.83688
20 4MP8 NAD 2.83688
21 4D4U FUC GAL NAG 2.83688
22 4ELG 52I 2.83688
23 4CNO 9PY 2.83688
24 1ZEM NAD 2.83688
25 3MHA Z69 2.83688
26 4ELG 52J 2.83688
27 4QYN RTL 3.00752
28 1GQG DCD 3.42857
29 1ZB6 DIN 3.5461
30 4DP3 MMV 3.5461
31 1EWJ BLM 3.96825
32 5AYI BGC 4.25532
33 1FL2 FAD 4.25532
34 4IKR PVP 4.25532
35 1VA6 P2S 4.25532
36 3KCC CMP 4.25532
37 3AMN CBI 4.25532
38 3AMN CBK 4.25532
39 5N87 N66 4.25532
40 3H22 B53 4.25532
41 3PTQ NFG 4.96454
42 2WPU KYT 4.96454
43 3WW2 SF6 4.96454
44 3WSJ MK1 5.17241
45 5HZ9 5M8 5.18518
46 2HKA C3S 5.38462
47 4BX7 B4F 5.46875
48 3RWP ABQ 5.67376
49 3NRR D16 5.67376
50 2CET PGI 5.67376
51 1KZN CBN 5.67376
52 1V08 NTZ 5.67376
53 2W92 NGT 5.67376
54 4ORR PE3 6.38298
55 2E9L BGC 6.38298
56 3T1A 5MA 6.38298
57 1J3R 6PG 6.38298
58 3DLG GWE 6.38298
59 4QCK ASD 6.38298
60 1SUW NAP 6.38298
61 1Y0L HAN 6.38298
62 5UMY TNN 6.42857
63 4M26 ZZU 7.0922
64 4M26 SIN 7.0922
65 4XCB HY0 7.0922
66 4GC1 MAN MAN 7.0922
67 1M0W ANP 7.0922
68 1OX5 1PR 7.0922
69 1OGX EQU 7.63359
70 5OCQ 9RN G4S 9RN G4S 7.80142
71 6B5G CQY 7.80142
72 1S4M LUM 7.80142
73 1ULE GLA GAL NAG 7.80142
74 5VNF VAL THR SER VAL VAL 7.80142
75 1TW4 CHD 8
76 2Z93 END 8.25688
77 5H2D ERG 8.51064
78 2R5V HHH 8.51064
79 5XVG 8FX 9.21986
80 1TV5 FMN 9.21986
81 4QA8 PJZ 9.21986
82 5Y4K AKR 9.21986
83 2QL9 CIT 9.27835
84 3LKJ LKJ 10.6383
85 5KEW 6SB 10.6383
86 4WUP 3UF 11.3475
87 3HQR OGA 11.3475
88 4OPC PGT 12.0567
89 5IXH OTP 12.766
90 2WLG SOP 12.766
91 1DE6 RNS 12.766
92 1SQI 869 13.4752
93 5KWY C3S 13.5338
94 4YWV SSN 14.1844
95 1F76 FMN 14.8936
96 2I6A 5I5 14.8936
97 6CZI 38E 15.1786
98 4AZI OAN 15.6028
99 4LED XXR 15.6028
100 5NBP BGC BGC BGC 17.0213
101 3B00 16A 17.0213
102 1GP6 SIN 17.7305
103 1GP6 DH2 17.7305
104 1GP6 QUE 17.7305
105 1H4H XYP XYS XYP 19.8582
106 4WN5 MVC 22.6087
107 4URL XAM 23.4043
Pocket No.: 3; Query (leader) PDB : 5K21; Ligand: 6QF; Similar sites found with APoc: 57
This union binding pocket(no: 3) in the query (biounit: 5k21.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3GM5 CIT 1.41844
2 4WHZ 3NL 2.12766
3 2B8T THM 2.12766
4 3KA2 2NC 2.83688
5 3T4L ZEA 3.5461
6 1RQH PYR 3.5461
7 3OIX FMN 3.5461
8 4K55 H6P 4.03226
9 5T2Z 017 4.0404
10 4QAC KK3 4.25532
11 4IXH IMP 4.25532
12 4Z87 5GP 4.25532
13 6GNO XDI 4.44444
14 4I9B 1KA 4.64217
15 1T27 PCW 4.96454
16 4J36 FAD 4.96454
17 6EOZ 58K 4.96454
18 6EOZ AKG 4.96454
19 4LOC OXM 4.96454
20 2PFY PCA 4.96454
21 4JX1 CAH 5.30973
22 2Y88 2ER 5.67376
23 3QCJ NX4 5.67376
24 4PSB GA3 5.67376
25 2G50 PYR 5.67376
26 1YRX FMN 5.78512
27 2P7Q GG6 6.01504
28 1DY4 SNP 6.38298
29 1PVN MZP 6.38298
30 4BVA T3 6.38298
31 3ISN EDM 6.38298
32 1OFZ FUL 7.0922
33 1OFZ FUC 7.0922
34 4L80 1VU 7.0922
35 2Q7D ANP 7.0922
36 3E85 BSU 8.51064
37 4EU7 CIT 9.21986
38 2ORV 4TA 9.21986
39 5DX9 T6P 9.21986
40 3U3U EAH 9.21986
41 4S28 AIR 9.21986
42 4S28 SAH 9.21986
43 4AF0 IMP 9.92908
44 2Y6Q I7T 9.92908
45 3FU8 3DM 9.92908
46 3GNP SOG 10.6383
47 1OPK MYR 10.6383
48 3DGB MUC 11.3475
49 6G9I CXX 11.3475
50 4QC6 30N 12.0567
51 4R5Z PMP 12.766
52 4AVO BGC BGC BGC BGC BGC BGC 14.8936
53 3WG3 A2G GAL NAG FUC 15.6028
54 2ZRU FMN 19.8582
55 3G08 FEE 20.202
56 5AHM IMP 21.2766
57 2NAD NAD 26.9504
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