-->
Receptor
PDB id Resolution Class Description Source Keywords
2J07 1.95 Å EC: 4.1.99.3 THERMUS DNA PHOTOLYASE WITH 8-HDF ANTENNA CHROMOPHORE THERMUS THERMOPHILUS LYASE FLAVOPROTEIN NUCLEOTIDE-BINDING DNA REPAIR
Ref.: NATURAL AND NON-NATURAL ANTENNA CHROMOPHORES IN THE PHOTOLYASE FROM THERMUS THERMOPHILUS CHEMBIOCHEM V. 7 1798 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1423;
A:1424;
A:1425;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FAD A:1421;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
HDF A:1422;
Valid;
none;
submit data
363.322 C16 H17 N3 O7 c1cc2...
PO4 A:1426;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J07 1.95 Å EC: 4.1.99.3 THERMUS DNA PHOTOLYASE WITH 8-HDF ANTENNA CHROMOPHORE THERMUS THERMOPHILUS LYASE FLAVOPROTEIN NUCLEOTIDE-BINDING DNA REPAIR
Ref.: NATURAL AND NON-NATURAL ANTENNA CHROMOPHORES IN THE PHOTOLYASE FROM THERMUS THERMOPHILUS CHEMBIOCHEM V. 7 1798 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2J09 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1IQR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2J07 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1IQU - TDR C5 H6 N2 O2 CC1=CNC(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2J09 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1IQR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2J07 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1IQU - TDR C5 H6 N2 O2 CC1=CNC(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2J09 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1IQR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2J07 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1IQU - TDR C5 H6 N2 O2 CC1=CNC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: HDF; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 FO1 1 1
2 HDF 1 1
3 6J4 0.508333 0.833333
4 F42 0.508333 0.833333
5 RBF 0.423913 0.871429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J07; Ligand: FAD; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 2j07.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 4OAS 2SW None
2 4V2O CLQ None
3 4WG0 CHD None
4 3KP6 SAL 0.714286
5 4LWU 20U 1.17647
6 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.36054
7 1EQ2 ADQ 1.6129
8 5U97 PIT 1.66667
9 5ZKC 3C0 1.66667
10 5OSW DIU 1.66667
11 5OSW AE4 1.66667
12 4TQK NAG 2.21675
13 2GEK GDP 2.21675
14 6B5Q PPI CZS 2KY MLY 1XY 2.22222
15 5IQT AKG 2.22222
16 5K53 STE 2.29008
17 5ENZ UDP 2.33766
18 3OKA GDD 2.3622
19 6MVU K4V 2.38095
20 6FTB M0E 2.38095
21 4RF7 ARG 2.38095
22 1SZ2 BGC 2.40964
23 1NF8 BOG 2.41546
24 5I8F ML1 2.42424
25 2BHW NEX 2.58621
26 1TV5 N8E 2.61905
27 3RHZ UDP 2.65487
28 4V3I ASP LEU THR ARG PRO 2.72374
29 5WX3 COA 2.77778
30 4ETZ C2E 2.85714
31 6GBX S77 2.85714
32 2PX8 MGT 2.97398
33 5ORG 6DB 3.04183
34 1E4I NFG 3.09524
35 4JGX PLM 3.10078
36 3NK7 SAM 3.2491
37 2HHP FLC 3.33333
38 1SQK LAR 3.33333
39 1YC4 43P 3.40909
40 3PMA SCR 3.4749
41 3ZQE DXC 3.60656
42 4RW3 TDA 3.64238
43 4DK7 0KS 3.64372
44 4IBF 1D5 3.87597
45 5G3Y ADP 3.9823
46 5FPN KYD 4.04762
47 1GY8 UDP 4.04762
48 3UEC ALA ARG TPO LYS 4.10959
49 1EXF GLY 4.13223
50 1FX8 BOG 4.27046
51 5UC4 83S 4.28571
52 3R9C ECL 4.30622
53 4P6X HCY 4.31373
54 1KKR 2AS 4.35835
55 5ICK FEZ 4.36681
56 6B21 C9V 4.4335
57 2XN5 FUN 4.57143
58 1P0Z FLC 4.58015
59 1BKJ FMN 4.58333
60 1IK4 PGH 4.60526
61 3TDC 0EU 4.7619
62 2AK3 AMP 4.86726
63 5X3R 7Y3 4.87805
64 3EYK EYK 5
65 3B99 U51 5
66 5NV9 SLB 5
67 2O1V ADP 5
68 1F6D UDP 5.05319
69 1TMX HGX 5.11945
70 5Y79 3PG 5.16717
71 5N7O 69Y 5.42986
72 2ALG DAO 5.43478
73 1SQL GUN 5.47945
74 2JCB ADP 5.5
75 5ZZA LAB 5.78512
76 1JXN MFU 5.78512
77 5LX9 OLB 5.86319
78 4JWJ SAH 5.94059
79 5BTX CMP 6.16438
80 1GQ2 OXL 6.19048
81 1M2Z BOG 6.22568
82 1M2Z DEX 6.22568
83 1XVB 3BR 6.42674
84 5HZ9 5M8 6.66667
85 2ZTS ADP 6.77291
86 3FAL REA 7.02479
87 1LNX URI 7.40741
88 5Y02 MXN 7.47664
89 6D28 NEC 7.69231
90 2XUA SHF 7.89474
91 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.94979
92 1SW1 PBE 8
93 5WGQ EST 8.04598
94 5WGD EST 8.04598
95 5DXE EST 8.04598
96 4MG8 27J 8.23529
97 4TUZ 36J 8.23529
98 4MG7 27H 8.23529
99 3OLL EST 8.33333
100 4TV1 36M 8.36653
101 3UUD EST 8.36653
102 1LTZ HBI 9.28571
103 3BEO UDP 9.33333
104 3WUR O4B 9.35672
105 6BR8 6OU 9.52381
106 3RY9 1CA 9.6
107 5C9J DAO 10.101
108 3E81 SLB 10.3659
109 5K04 COA 10.5882
110 3VPB GLU 10.7143
111 1TIQ COA 11.1111
112 5J62 FMN 12.1212
113 4G86 BNT 12.3239
114 3LQV ADE 12.8205
115 5Z84 CHD 13.5593
116 5ZCO CHD 13.5593
117 2DYS PGV 13.5593
118 5U9J GER 15.3846
119 2Y69 CHD 15.7143
120 4DJA FAD 15.9524
121 4DJA DLZ 15.9524
122 4V1F BQ1 16.2791
123 1NU4 MLA 17.5258
124 4OGQ 7PH 32.4324
125 4I6G FAD 40.7143
126 2J4D FAD 43.8095
127 4GU5 FAD 45.2381
128 5ZM0 FAD 45.4762
129 1U3D FAD 46.6667
130 1NP7 FAD 49.2857
Pocket No.: 2; Query (leader) PDB : 2J07; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2j07.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2J07; Ligand: HDF; Similar sites found with APoc: 130
This union binding pocket(no: 3) in the query (biounit: 2j07.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 4OAS 2SW None
2 4V2O CLQ None
3 4WG0 CHD None
4 3KP6 SAL 0.714286
5 4LWU 20U 1.17647
6 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.36054
7 1EQ2 ADQ 1.6129
8 5U97 PIT 1.66667
9 5ZKC 3C0 1.66667
10 5OSW DIU 1.66667
11 5OSW AE4 1.66667
12 4TQK NAG 2.21675
13 2GEK GDP 2.21675
14 6B5Q PPI CZS 2KY MLY 1XY 2.22222
15 5IQT AKG 2.22222
16 5K53 STE 2.29008
17 5ENZ UDP 2.33766
18 3OKA GDD 2.3622
19 6MVU K4V 2.38095
20 6FTB M0E 2.38095
21 4RF7 ARG 2.38095
22 1SZ2 BGC 2.40964
23 1NF8 BOG 2.41546
24 5I8F ML1 2.42424
25 2BHW NEX 2.58621
26 1TV5 N8E 2.61905
27 3RHZ UDP 2.65487
28 4V3I ASP LEU THR ARG PRO 2.72374
29 5WX3 COA 2.77778
30 4ETZ C2E 2.85714
31 6GBX S77 2.85714
32 2PX8 MGT 2.97398
33 5ORG 6DB 3.04183
34 1E4I NFG 3.09524
35 4JGX PLM 3.10078
36 3NK7 SAM 3.2491
37 2HHP FLC 3.33333
38 1SQK LAR 3.33333
39 1YC4 43P 3.40909
40 3PMA SCR 3.4749
41 3ZQE DXC 3.60656
42 4RW3 TDA 3.64238
43 4DK7 0KS 3.64372
44 4IBF 1D5 3.87597
45 5G3Y ADP 3.9823
46 5FPN KYD 4.04762
47 1GY8 UDP 4.04762
48 3UEC ALA ARG TPO LYS 4.10959
49 1EXF GLY 4.13223
50 1FX8 BOG 4.27046
51 5UC4 83S 4.28571
52 3R9C ECL 4.30622
53 4P6X HCY 4.31373
54 1KKR 2AS 4.35835
55 5ICK FEZ 4.36681
56 6B21 C9V 4.4335
57 2XN5 FUN 4.57143
58 1P0Z FLC 4.58015
59 1BKJ FMN 4.58333
60 1IK4 PGH 4.60526
61 3TDC 0EU 4.7619
62 2AK3 AMP 4.86726
63 5X3R 7Y3 4.87805
64 3EYK EYK 5
65 3B99 U51 5
66 5NV9 SLB 5
67 2O1V ADP 5
68 1F6D UDP 5.05319
69 1TMX HGX 5.11945
70 5Y79 3PG 5.16717
71 5N7O 69Y 5.42986
72 2ALG DAO 5.43478
73 1SQL GUN 5.47945
74 2JCB ADP 5.5
75 5ZZA LAB 5.78512
76 1JXN MFU 5.78512
77 5LX9 OLB 5.86319
78 4JWJ SAH 5.94059
79 5BTX CMP 6.16438
80 1GQ2 OXL 6.19048
81 1M2Z BOG 6.22568
82 1M2Z DEX 6.22568
83 1XVB 3BR 6.42674
84 5HZ9 5M8 6.66667
85 2ZTS ADP 6.77291
86 3FAL REA 7.02479
87 1LNX URI 7.40741
88 5Y02 MXN 7.47664
89 6D28 NEC 7.69231
90 2XUA SHF 7.89474
91 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.94979
92 1SW1 PBE 8
93 5WGQ EST 8.04598
94 5WGD EST 8.04598
95 5DXE EST 8.04598
96 4MG8 27J 8.23529
97 4TUZ 36J 8.23529
98 4MG7 27H 8.23529
99 3OLL EST 8.33333
100 4TV1 36M 8.36653
101 3UUD EST 8.36653
102 1LTZ HBI 9.28571
103 3BEO UDP 9.33333
104 3WUR O4B 9.35672
105 6BR8 6OU 9.52381
106 3RY9 1CA 9.6
107 5C9J DAO 10.101
108 3E81 SLB 10.3659
109 5K04 COA 10.5882
110 3VPB GLU 10.7143
111 1TIQ COA 11.1111
112 5J62 FMN 12.1212
113 4G86 BNT 12.3239
114 3LQV ADE 12.8205
115 5Z84 CHD 13.5593
116 5ZCO CHD 13.5593
117 2DYS PGV 13.5593
118 5U9J GER 15.3846
119 2Y69 CHD 15.7143
120 4DJA FAD 15.9524
121 4DJA DLZ 15.9524
122 4V1F BQ1 16.2791
123 1NU4 MLA 17.5258
124 4OGQ 7PH 32.4324
125 4I6G FAD 40.7143
126 2J4D FAD 43.8095
127 4GU5 FAD 45.2381
128 5ZM0 FAD 45.4762
129 1U3D FAD 46.6667
130 1NP7 FAD 49.2857
Pocket No.: 4; Query (leader) PDB : 2J07; Ligand: HDF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2j07.bio2) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2J07; Ligand: FAD; Similar sites found with APoc: 5
This union binding pocket(no: 5) in the query (biounit: 2j07.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 3BP1 GUN 2.41379
3 1O4T OXL 3.7594
4 2I6A 5I5 4.92754
5 2YFB SIN 11.6279
Pocket No.: 6; Query (leader) PDB : 2J07; Ligand: HDF; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 2j07.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 3BP1 GUN 2.41379
3 1O4T OXL 3.7594
4 2I6A 5I5 4.92754
5 2YFB SIN 11.6279
APoc FAQ
Feedback