Receptor
PDB id Resolution Class Description Source Keywords
2AF6 2.01 Å EC: 2.1.1.148 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FLAVIN DEPEN THYMIDYLATE SYNTHASE (MTB THYX) IN THE PRESENCE OF CO-FACTOS UBSTRATE ANALOG 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE ( MYCOBACTERIUM TUBERCULOSIS M.TUBERCULOSIS THYX FDTS TSCP FLAVIN DEPENDENT THYMIDYLASYNTHASE TRANSFERASE
Ref.: STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS FLAVIN THYMIDYLATE SYNTHASE (MTBTHYX) AT 2.0A RESOLUTION. J.MOL.BIOL. V. 352 1091 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRU A:4603;
B:3603;
C:2603;
D:1603;
E:8603;
F:7603;
G:6603;
H:5603;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
387.078 C9 H12 Br N2 O8 P C1[C@...
FAD A:4600;
B:3600;
C:2600;
D:1600;
E:8600;
F:7600;
G:6600;
H:5600;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:2001;
A:2010;
A:2013;
B:2002;
B:2008;
C:2003;
D:2009;
D:2012;
E:2004;
E:2011;
F:2007;
F:2014;
G:2005;
H:2006;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IOD A:3001;
A:3008;
C:3009;
D:3002;
D:3004;
E:3006;
E:3007;
F:3005;
F:3010;
G:3003;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
126.904 I [I-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AF6 2.01 Å EC: 2.1.1.148 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS FLAVIN DEPEN THYMIDYLATE SYNTHASE (MTB THYX) IN THE PRESENCE OF CO-FACTOS UBSTRATE ANALOG 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE ( MYCOBACTERIUM TUBERCULOSIS M.TUBERCULOSIS THYX FDTS TSCP FLAVIN DEPENDENT THYMIDYLASYNTHASE TRANSFERASE
Ref.: STRUCTURE OF THE MYCOBACTERIUM TUBERCULOSIS FLAVIN THYMIDYLATE SYNTHASE (MTBTHYX) AT 2.0A RESOLUTION. J.MOL.BIOL. V. 352 1091 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2AF6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2AF6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2AF6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BRU; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 BRU 1 1
2 5IU 0.720588 0.972222
3 UFP 0.716418 0.972222
4 5HU 0.705882 0.905405
5 TMP 0.705882 0.917808
6 BVP 0.662162 0.958333
7 UMP 0.583333 0.929577
8 DU 0.583333 0.929577
9 5BU 0.575342 0.917808
10 TYD 0.571429 0.905405
11 DDN 0.547945 0.929577
12 TTP 0.54321 0.905405
13 DU DU DU DU BRU DU DU 0.536082 0.932432
14 DC 0.506494 0.866667
15 DCM 0.506494 0.866667
16 TBD 0.5 0.87013
17 UMC 0.486842 0.876712
18 TLO 0.472527 0.857143
19 ID2 0.472222 0.837838
20 DUD 0.469136 0.916667
21 DAU 0.463158 0.846154
22 NYM 0.4625 0.893333
23 FDM 0.4625 0.932432
24 QBT 0.461538 0.864865
25 DUP 0.458824 0.891892
26 THM 0.458333 0.786667
27 LLT 0.458333 0.786667
28 3YN 0.458333 0.846154
29 DUN 0.457831 0.891892
30 THP 0.45679 0.90411
31 3R2 0.452632 0.835443
32 1JB 0.452632 0.846154
33 TRH 0.452632 0.846154
34 18T 0.452632 0.846154
35 TDX 0.452632 0.857143
36 UC5 0.451219 0.90411
37 DT DT DT DT DT 0.447917 0.881579
38 DUT 0.447059 0.916667
39 ATM 0.447059 0.835443
40 0DN 0.445946 0.797297
41 T3Q 0.443299 0.825
42 DWN 0.443299 0.825
43 T3F 0.443299 0.825
44 BVD 0.441558 0.824324
45 BTD 0.439024 0.807692
46 T46 0.438776 0.846154
47 0N2 0.438776 0.814815
48 AKM 0.435644 0.807229
49 MMF 0.434343 0.825
50 0FX 0.434343 0.825
51 5FU 0.43038 0.891892
52 QDM 0.425743 0.814815
53 8OG 0.425287 0.807229
54 FNF 0.421569 0.835443
55 JHZ 0.421569 0.804878
56 1YF 0.421569 0.835443
57 GPU 0.421053 0.75
58 DT DT PST 0.42 0.822785
59 4TG 0.417476 0.835443
60 YYY 0.406977 0.855263
61 DUT MG 0.404494 0.853333
62 UMP AF3 PO4 0.4 0.868421
63 T3P 0.4 0.878378
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 2af6.bio9) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RC0 KT5 0.04728 0.40149 2.71318
Pocket No.: 2; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2af6.bio9) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: 96
This union binding pocket(no: 3) in the query (biounit: 2af6.bio9) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WJH FLC 0.006167 0.42992 None
2 5EEL MLA 0.0009094 0.4042 None
3 3CIF NAD 0.02418 0.41601 1.16279
4 3CIF G3H 0.04205 0.407 1.16279
5 4N65 AQN 0.03044 0.40794 1.41509
6 1UJ2 C5P 0.01567 0.42376 1.5873
7 1UJ2 ADP 0.03988 0.40096 1.5873
8 1J0X NAD 0.01072 0.4497 1.93798
9 2R3A SAM 0.02063 0.4049 1.93798
10 5V2J 7WV 0.04845 0.40387 1.93798
11 1ZK4 NAP 0.04677 0.40741 1.99203
12 1VQW FAD 0.03077 0.41631 2.32558
13 1XHC FAD 0.03894 0.41221 2.32558
14 2GVC FAD 0.03949 0.4102 2.32558
15 3MB5 SAM 0.03137 0.4037 2.32558
16 1UP7 NAD 0.04012 0.40083 2.32558
17 2VL8 UDP 0.008238 0.42407 2.38095
18 4MP8 NAD 0.01838 0.42945 2.71318
19 1DSS NAD 0.01476 0.42363 2.71318
20 3KLJ FAD 0.03704 0.41147 2.71318
21 3VCY UD1 0.02912 0.40484 2.71318
22 3FXU TSU 0.03421 0.40384 2.71318
23 3UZO GLU 0.03925 0.40136 2.71318
24 1R18 SAH 0.03199 0.40211 3.0837
25 5BW4 SAM 0.01228 0.42333 3.10078
26 2ZKJ ADP 0.04577 0.40945 3.10078
27 3QWI NAP 0.04352 0.40732 3.10078
28 2FWP ICR 0.005868 0.42945 3.27869
29 2FWP CIT 0.006037 0.42487 3.27869
30 3OOI SAM 0.02969 0.40009 3.44828
31 5FM0 WAQ 0.01441 0.43241 3.46154
32 2YVJ FAD 0.01811 0.43171 3.48837
33 5FJJ MAN 0.03134 0.40451 3.48837
34 4M73 SAH 0.008688 0.44727 3.85757
35 4LTN FMN 0.02565 0.40571 4.06091
36 4LTN NAI 0.02942 0.40571 4.06091
37 2VZ0 NAP 0.009204 0.47401 4.10448
38 2VZ0 D64 0.009204 0.47401 4.10448
39 1R2Q GNP 0.03246 0.41514 4.11765
40 3GD4 NAD 0.02904 0.44355 4.26357
41 3GD4 FAD 0.0212 0.44355 4.26357
42 2OFV 242 0.03731 0.41245 4.26357
43 4GKV NAD 0.03856 0.40994 4.26357
44 5JM8 ATP 0.02212 0.40654 4.26357
45 1NUS APC 0.04645 0.41196 4.36508
46 4EMI FAD 0.04015 0.41313 4.39024
47 5MZI FAD 0.01369 0.45425 4.65116
48 5MZI FYK 0.01405 0.45425 4.65116
49 5DY5 5GR 0.03579 0.43136 4.65116
50 1RF6 S3P 0.02144 0.41469 4.65116
51 1RF6 GPJ 0.02244 0.41227 4.65116
52 2D5A COA 0.003082 0.45772 4.86111
53 4YNM SAM 0.01892 0.40644 4.86726
54 3Q9N COA 0.006506 0.44509 4.96454
55 4BV6 FAD 0.01185 0.44688 5.03876
56 3E1T FAD 0.01995 0.43409 5.03876
57 2VYN NAD 0.01215 0.43232 5.03876
58 4BKJ STI 0.02023 0.42303 5.03876
59 1U1I NAD 0.02697 0.41984 5.03876
60 1ZOA 140 0.03839 0.41317 5.03876
61 4DXJ IPE 0.04935 0.40155 5.03876
62 5CFT APC 0.03129 0.4004 5.40541
63 5CFT 51G 0.03582 0.4004 5.40541
64 4FMU 0UM 0.01009 0.42887 5.42636
65 1Q9I TEO 0.04631 0.42245 5.42636
66 5V22 SAH 0.02228 0.40519 5.42636
67 1KPH SAH 0.0296 0.40264 5.42636
68 3IHG FAD 0.01388 0.42971 5.81395
69 2DKH FAD 0.02509 0.42028 5.81395
70 2DKH 3HB 0.04708 0.41099 5.81395
71 2RGJ FAD 0.00992 0.4425 6.20155
72 3TDH AMP 0.01577 0.41351 6.70391
73 5A3B APR 0.04122 0.40147 6.93069
74 1PN0 FAD 0.03333 0.42595 6.97674
75 1PN0 IPH 0.03433 0.42595 6.97674
76 1SB8 UD2 0.04453 0.42078 6.97674
77 2BRY FAD 0.01472 0.43278 7.36434
78 4TXI FAD 0.01662 0.42862 7.36434
79 3T7S SAM 0.02316 0.40409 7.46269
80 1XTP SAI 0.0158 0.41221 7.48031
81 1SQL GUN 0.01089 0.40397 7.53425
82 4I54 1C1 0.03324 0.40911 7.75194
83 3L8H FX1 0.01763 0.40074 7.82123
84 5LLT DND 0.04996 0.40349 7.98122
85 1TB6 GU4 GU6 GU0 GU5 GU8 GU9 GU8 GU9 GU8 GU9 GU8 GU5 GU1 GU6 GU2 GU3 0.02434 0.40503 8.13953
86 5ODQ FAD 0.04604 0.41397 8.52713
87 3V2U ATP 0.02369 0.40611 8.52713
88 3B6R CRN 0.01763 0.40563 8.52713
89 5BUK FAD 0.02329 0.4313 9.30233
90 2B4R AES 0.02838 0.41336 9.68992
91 2B4R NAD 0.03908 0.40623 9.68992
92 2Y6Q FAD 0.02075 0.42385 11.2403
93 2Y6Q I7T 0.03518 0.42385 11.2403
94 1WUR 8DG 0.02704 0.40509 11.3636
95 2CXG GLC G6D ACI GLC 0.04951 0.40514 13.5659
96 2QRD ATP 0.01463 0.41335 29.8969
Pocket No.: 4; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2af6.bio9) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2af6.bio5) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 12
This union binding pocket(no: 6) in the query (biounit: 2af6.bio5) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AHO 3A2 0.02649 0.43941 1.93798
2 5T67 JHZ 0.01673 0.43302 2.71318
3 3A8T ATP 0.009431 0.4027 3.48837
4 1USF NAP 0.01659 0.4005 5.61798
5 1USF FMN 0.0145 0.4005 5.61798
6 3MDV CL6 0.03865 0.41976 6.20155
7 5A3B APR 0.03469 0.40713 6.93069
8 1ORR CDP 0.00457 0.42165 6.97674
9 4B5P ACO 0.001043 0.43443 8
10 5I2E 67D 0.01349 0.44806 10.8527
11 3DSK T25 0.009254 0.41628 11.6279
12 2I4I AMP 0.04247 0.40377 16.2791
Pocket No.: 7; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2af6.bio5) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2af6.bio5) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2af6.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2af6.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2af6.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 2
This union binding pocket(no: 12) in the query (biounit: 2af6.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z8L NAG FUC SIA GAL 0.02741 0.40305 3.84615
2 2WPF FAD 0.02853 0.42037 4.65116
Pocket No.: 13; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2af6.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2af6.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2af6.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2af6.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 3
This union binding pocket(no: 17) in the query (biounit: 2af6.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NDJ SAH 0.01396 0.45022 5.03876
2 3NDJ JHZ 0.01396 0.45022 5.03876
3 4TSZ ACE GLN ALC ASP LEU ZCL 0.0153 0.41058 23.6434
Pocket No.: 18; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 2af6.bio3) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 2af6.bio3) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 2af6.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: 18
This union binding pocket(no: 21) in the query (biounit: 2af6.bio8) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5V2J UDP 0.0489 0.40355 1.93798
2 3HQP FDP 0.01951 0.40008 1.93798
3 1EBG PAH 0.02428 0.40368 2.32558
4 3LCC SAH 0.02491 0.40137 2.55319
5 5T52 NGA 0.01255 0.40591 2.89256
6 3SMA ACO 0.0378 0.40009 3.10078
7 2PXX SAH 0.02733 0.40199 3.25581
8 2NYR SVR 0.04883 0.43044 3.48837
9 3KFL ME8 0.04053 0.40077 3.87597
10 3HVJ 705 0.04796 0.40934 4.52489
11 2EXX NAP 0.04304 0.40702 4.65116
12 1F06 NDP 0.04189 0.40616 4.65116
13 2AOT SAH 0.02355 0.40026 4.65116
14 4C3Y ANB 0.03591 0.42353 5.03876
15 4C3Y FAD 0.03051 0.42353 5.03876
16 3KXC PLM 0.02341 0.4108 5.42636
17 4XTX 590 0.0405 0.40204 6.97674
18 3GRU AMP 0.03731 0.40027 22.4806
Pocket No.: 22; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 2af6.bio8) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 2af6.bio8) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 2af6.bio8) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 2af6.bio6) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 3
This union binding pocket(no: 26) in the query (biounit: 2af6.bio6) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3D5Z FUB AHR AHR 0.02013 0.40486 3.10078
2 2WZF BGC 0.01444 0.40623 6.20155
3 3V4S ADP 0.01063 0.46207 14.7287
Pocket No.: 27; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 2af6.bio6) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 2af6.bio6) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 2
This union binding pocket(no: 29) in the query (biounit: 2af6.bio4) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UM0 FMN 0.04945 0.40104 3.48837
2 3VPD ANP 0.04017 0.40025 15.1163
Pocket No.: 30; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 2af6.bio4) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 2af6.bio4) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 2af6.bio4) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: 10
This union binding pocket(no: 33) in the query (biounit: 2af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N65 FMN 0.03063 0.41159 1.41509
2 3H9E NAD 0.01108 0.43218 1.93798
3 2O4C NAD 0.04883 0.40132 2.32558
4 2DC1 NAD 0.04067 0.40271 2.54237
5 1F06 2NP 0.04545 0.40758 4.65116
6 1XKD NAP 0.03862 0.40372 5.42636
7 2Y8L ADP 0.02704 0.4334 6.89655
8 5FAL SKT 0.02662 0.43788 10.4651
9 5FAL COA 0.02662 0.43788 10.4651
10 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.0212 0.41114 14.4737
Pocket No.: 34; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: 1
This union binding pocket(no: 34) in the query (biounit: 2af6.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WPF WPF 0.03062 0.42266 4.65116
Pocket No.: 35; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 2af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 2af6.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 37; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 37) in the query (biounit: 2af6.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 38; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 38) in the query (biounit: 2af6.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 39; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 39) in the query (biounit: 2af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 40; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 40) in the query (biounit: 2af6.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 41; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 41) in the query (biounit: 2af6.bio10) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 42; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 42) in the query (biounit: 2af6.bio10) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 43; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 43) in the query (biounit: 2af6.bio10) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 44; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 44) in the query (biounit: 2af6.bio10) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 45; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 45) in the query (biounit: 2af6.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 46; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: 7
This union binding pocket(no: 46) in the query (biounit: 2af6.bio7) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JGA 6KC 0.04591 0.40419 0.775194
2 154L NAG NAG NAG 0.02518 0.40203 2.16216
3 2WOX NDP 0.04562 0.40687 2.71318
4 2NU8 COA 0.04184 0.40025 5.81395
5 2E7Z MGD 0.04825 0.40547 6.97674
6 1X0P FAD 0.01907 0.40261 16.7832
7 4R0M FA5 0.02701 0.41207 20.155
Pocket No.: 47; Query (leader) PDB : 2AF6; Ligand: BRU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 47) in the query (biounit: 2af6.bio7) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 48; Query (leader) PDB : 2AF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 48) in the query (biounit: 2af6.bio7) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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