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Receptor
PDB id Resolution Class Description Source Keywords
3T6E 1.92 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REACTION CENTRE FROM BLASTOCHLORIS STRAIN DSM 133 (ATCC 19567) SUBSTRAIN-94 BLASTOCHLORIS VIRIDIS PIGMENT-PROTEIN COMPLEX ELECTRON TRANSFER PHOTOSYNTHESIS PHOTOSYNTHETIC REACTION CENTER PHOTOSYNTHETIC MEMBRANES EGENETIC DRIFT ELECTRON TRANSPORT
Ref.: NEW INSIGHTS INTO THE STRUCTURE OF THE REACTION CEN BLASTOCHLORIS VIRIDIS: EVOLUTION IN THE LABORATORY. BIOCHEM.J. V. 442 27 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BCB L:400;
L:401;
M:400;
M:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
909.488 C55 H72 Mg N4 O6 CC=C/...
BPB L:402;
M:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
887.199 C55 H74 N4 O6 C/C=C...
DGA C:730;
H:733;
L:731;
M:732;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
625.018 C39 H76 O5 CCCCC...
FE2 M:500;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
GOL C:350;
C:351;
C:352;
C:353;
C:354;
C:355;
C:356;
C:357;
C:358;
C:359;
C:360;
C:361;
C:362;
C:363;
C:364;
C:365;
H:269;
H:270;
H:271;
H:272;
H:273;
H:274;
H:275;
H:276;
H:277;
H:278;
H:279;
L:276;
L:277;
L:278;
L:279;
L:280;
L:281;
L:282;
M:333;
M:334;
M:335;
M:336;
M:337;
M:338;
M:339;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEC C:401;
C:402;
C:403;
C:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
HTO C:348;
C:349;
H:266;
H:267;
H:268;
L:274;
L:275;
M:332;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
148.2 C7 H16 O3 CCCC[...
LDA C:712;
C:722;
H:701;
H:707;
H:718;
H:719;
H:721;
L:703;
L:708;
L:709;
L:720;
M:702;
M:704;
M:705;
M:706;
M:715;
Invalid;
Invalid;
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;
none;
none;
submit data
229.402 C14 H31 N O CCCCC...
MQ9 M:501;
Valid;
none;
submit data
785.233 C56 H80 O2 CC1=C...
NS5 M:600;
Invalid;
none;
submit data
540.904 C40 H60 CC(C)...
SO4 C:337;
C:338;
C:339;
C:340;
C:341;
C:342;
C:343;
C:344;
C:345;
C:346;
C:347;
H:259;
H:260;
H:261;
H:262;
H:263;
H:264;
H:265;
M:324;
M:325;
M:326;
M:327;
M:328;
M:329;
M:330;
M:331;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
UQ9 L:502;
L:503;
Valid;
Valid;
none;
none;
submit data
795.226 C54 H82 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T6E 1.92 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE REACTION CENTRE FROM BLASTOCHLORIS STRAIN DSM 133 (ATCC 19567) SUBSTRAIN-94 BLASTOCHLORIS VIRIDIS PIGMENT-PROTEIN COMPLEX ELECTRON TRANSFER PHOTOSYNTHESIS PHOTOSYNTHETIC REACTION CENTER PHOTOSYNTHETIC MEMBRANES EGENETIC DRIFT ELECTRON TRANSPORT
Ref.: NEW INSIGHTS INTO THE STRUCTURE OF THE REACTION CEN BLASTOCHLORIS VIRIDIS: EVOLUTION IN THE LABORATORY. BIOCHEM.J. V. 442 27 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3G7F - MQ9 C56 H80 O2 CC1=C(C(=O....
2 2JBL - MQ7 C46 H64 O2 CC1=C(C(=O....
3 3T6D - MQ9 C56 H80 O2 CC1=C(C(=O....
4 1VRN - MQ9 C56 H80 O2 CC1=C(C(=O....
5 5NJ4 - MQ7 C46 H64 O2 CC1=C(C(=O....
6 3T6E - MQ9 C56 H80 O2 CC1=C(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MQ9; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 MQ7 1 1
2 MQ9 1 1
3 UQ 0.552239 0.710526
4 U10 0.552239 0.710526
5 UQ7 0.552239 0.710526
6 UQ5 0.552239 0.684211
7 UQ9 0.552239 0.710526
8 UQ8 0.552239 0.710526
9 UQ2 0.492537 0.657895
10 8PP 0.447761 0.742857
Ligand no: 2; Ligand: UQ9; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 UQ 1 1
2 UQ8 1 1
3 U10 1 1
4 UQ9 1 1
5 UQ7 1 1
6 UQ5 1 0.970588
7 UQ2 0.92 0.941176
8 UQ1 0.603774 0.794118
9 MQ9 0.552239 0.710526
10 MQ7 0.552239 0.710526
11 UQ6 0.449275 0.780488
12 9BR 0.405405 0.622222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T6E; Ligand: UQ9; Similar sites found with APoc: 167
This union binding pocket(no: 1) in the query (biounit: 3t6e.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 4WG0 CHD None
3 3KP6 SAL 2.64901
4 1I0B PEL 3.10078
5 5CX6 CDP 3.2967
6 1ZDQ MSM 3.2967
7 2UW1 GVM 3.48837
8 3ROE THM 3.48837
9 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 3.48837
10 4YMJ 4EJ 3.61842
11 1EX7 5GP 3.76344
12 2JC9 ADN 3.87597
13 2Q8G AZX 3.93258
14 6BYM HC3 3.94089
15 1TZD ADP 4.0293
16 4Q0A 4OA 4.30464
17 2GWH PCI 4.36242
18 5CHR 4NC 4.37956
19 2Z9I GLY ALA THR VAL 4.62963
20 4IBF 1D5 4.65116
21 5AZC PGT 4.66667
22 3W5N RAM 4.95356
23 3X01 AMP 5.03876
24 1AUA BOG 5.03876
25 1M2Z BOG 5.05837
26 3B9Z CO2 5.12821
27 5NM7 GLY 5.26316
28 5LX9 OLB 5.28169
29 3G58 988 5.33708
30 2IDO TMP 5.37634
31 5MBC FMN 5.38244
32 5UI2 SUC 5.49451
33 3EF0 ALF 5.49451
34 3KYQ DPV 5.52764
35 2QLX RM4 5.55556
36 4B52 RDF 5.59211
37 2WW4 ADP 5.65371
38 2WH8 II2 5.81395
39 1C1X HFA 5.86081
40 1BW9 PPY 5.86081
41 3BJC WAN 5.89888
42 1J78 OLA 6.20155
43 1J78 VDY 6.20155
44 2JFN GLU 6.20155
45 1TV5 N8E 6.22711
46 1TV5 A26 6.22711
47 3TL1 JRO 6.28931
48 3NB0 G6P 6.46067
49 1WMA AB3 6.52174
50 1XMY ROL 6.53266
51 5Y02 HBX 6.54206
52 5Y02 MXN 6.54206
53 6BMM OLB 6.59341
54 3E3U NVC 6.59898
55 5OLK DTP 6.81115
56 5UGW GSH 6.85714
57 2DWU DGL 6.88406
58 1XZ3 ICF 6.89655
59 2OZ5 7XY 6.97674
60 1ZED PNP 7.02247
61 5U5G 7VD 7.11864
62 4RC8 STE 7.20721
63 3GQT UFO 7.32601
64 3CHT 4NB 7.32601
65 1RL4 BL5 7.44681
66 4HBM 0Y7 7.5
67 5CC2 CKA 7.54717
68 1R6N 434 7.58294
69 5HCN DAO 7.66284
70 1O9U ADZ 7.75194
71 1GPM CIT 7.75194
72 4DOO DAO 7.80488
73 2VWT PYR 7.86517
74 5K53 STE 8.01527
75 4MRP GSH 8.05861
76 2Q8M AMP 8.13953
77 2PX6 DH9 8.22785
78 2BCG GER 8.25243
79 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.35913
80 1HK8 DGT 8.42697
81 6BMS PLM 8.52713
82 4RW3 TDA 8.52713
83 6BMS POV 8.52713
84 6CB2 OLC 8.53242
85 1JPA ANP 8.65385
86 2CYC TYR 8.66873
87 3TDC 0EU 8.79121
88 5WGQ EST 8.81226
89 1LVW TYD 8.81356
90 5KDX GAL TNR 8.91473
91 1HBK MYR 8.98876
92 4MGA 27L 9.01961
93 2UXI G50 9.04762
94 5M37 9SZ 9.13043
95 4TV1 36M 9.16335
96 1LOJ URI 9.1954
97 3L1N PLM 9.27835
98 6H8S FSZ 9.30233
99 4OAS 2SW 9.375
100 1ZEI CRS 9.43396
101 3I6B KDO 9.44444
102 4XDA ADP 9.68992
103 5V3Y 5V8 9.79021
104 5VRH OLB 9.89011
105 5EY0 GTP 9.89011
106 2XOC ADE 9.96169
107 3WFD AXO 10.274
108 2F57 23D 10.4651
109 2YAJ 4HP 10.4651
110 1RV1 IMZ 10.5882
111 1DKU AP2 10.8527
112 5EE7 5MV 10.8527
113 5XJ7 87O 10.9453
114 2BHW LUX 11.2069
115 6CGN DA 11.2403
116 2IF8 ADP 11.6279
117 2E9L PLM 11.6279
118 3N29 GOL 11.6279
119 1NBU PH2 11.7647
120 5C1M OLC 11.8243
121 5C1M CLR 11.8243
122 5KUT GDP 12.1693
123 4WGF HX2 12.1951
124 1NF8 BOG 12.5604
125 4YSX E23 12.766
126 2F7A BEZ 13.3621
127 3E70 GDP 13.5531
128 3RET SAL 13.8614
129 3RET PYR 13.8614
130 5KD8 TNR 13.9535
131 1NU4 MLA 14.433
132 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 14.6444
133 1QFT HSM 14.8571
134 5LWY OLB 14.9533
135 2GZM DGL 15.3558
136 3KPE TM3 15.6863
137 2RH1 CLR 16.1172
138 3SQP 3J8 16.2791
139 4XCP PLM 16.4706
140 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 16.6667
141 4C2W ANP 16.8459
142 4V2O CLQ 17.0732
143 5WL1 CUY 17.1717
144 2VVT DGL 17.3375
145 1MID LAP 19.7802
146 4F4S EFO 21.0526
147 2Y69 CHD 21.25
148 5W7B MYR 21.2766
149 1N8V BDD 21.4286
150 4NB5 2JT 22.2222
151 4OGQ 1O2 23.5294
152 4OGQ 7PH 23.5294
153 4OGQ 2WD 23.5294
154 4COL DTP 24.031
155 4I67 G G G RPC 24.1379
156 4ZGM 32M 25.8065
157 5OCA 9QZ 26.9841
158 5Z84 CHD 30.3571
159 5Z84 PGV 30.3571
160 5ZCO CHD 30.3571
161 2DYS PGV 30.3571
162 5ZCO PGV 30.3571
163 5ZCO PEK 30.3571
164 5Z84 PEK 30.3571
165 5W97 CHD 30.3571
166 2DYR PGV 30.3571
167 3N7S 3N7 33.3333
Pocket No.: 2; Query (leader) PDB : 3T6E; Ligand: MQ9; Similar sites found with APoc: 72
This union binding pocket(no: 2) in the query (biounit: 3t6e.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2YPI PGA 3.23887
3 5CX6 CDP 3.2967
4 2UW1 GVM 3.48837
5 1SJD NPG 3.71517
6 2Q8G AZX 3.93258
7 5U97 PIT 4.0293
8 3W54 RNB 4.26357
9 5CHR 4NC 4.37956
10 5EYW PGA 4.41767
11 1C9K 5GP 4.44444
12 2GBB CIT 4.48718
13 5AZC PGT 4.66667
14 3VSV XYS 4.7619
15 3B9Z CO2 5.12821
16 4J6C STR 5.26316
17 5LX9 OLB 5.28169
18 3BP1 GUN 5.42636
19 3EF0 ALF 5.49451
20 6BVE PGA 5.71429
21 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.08696
22 1J78 OLA 6.20155
23 1TV5 N8E 6.22711
24 3NB0 G6P 6.46067
25 1SBR VIB 6.5
26 6GK6 MYR 6.50155
27 4DXJ 0M9 6.58915
28 4YMZ 13P 6.77291
29 1S68 AMP 6.82731
30 1ZED PNP 7.02247
31 2BTM PGA 7.53968
32 1R6N 434 7.58294
33 2Z49 AMG 7.75194
34 2Z48 NGA 7.75194
35 2VWT PYR 7.86517
36 1WLJ U5P 7.93651
37 2X1L MET 8.14607
38 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.35913
39 5KDX GAL TNR 8.91473
40 4MGA 27L 9.01961
41 2UXI G50 9.04762
42 5M37 9SZ 9.13043
43 1ZEI CRS 9.43396
44 1UUY PPI 9.58084
45 6AYI C3G 10.0503
46 3ZPG 5GP 10.0775
47 1JZN BGC GAL 10.3704
48 3TAO PGH 10.4869
49 5C1M OLC 11.8243
50 1RM8 BAT 11.8343
51 1NF8 BOG 12.5604
52 4YEE 4CQ 13.3333
53 2F7A BEZ 13.3621
54 4YEF 4CQ 13.4831
55 5KD8 TNR 13.9535
56 1NU4 MLA 14.433
57 5LWY OLB 14.9533
58 4O4Z N2O 15.5844
59 1SWG BTN 15.625
60 3F8C HT1 16.6667
61 2AJH MET 18.3673
62 2Y69 CHD 21.25
63 5W7B MYR 21.2766
64 1BCJ NGA 22.7273
65 4OGQ 7PH 23.5294
66 5W97 CHD 30.3571
67 2DYS PGV 30.3571
68 5Z84 PGV 30.3571
69 5Z84 CHD 30.3571
70 5ZCO PGV 30.3571
71 5ZCO CHD 30.3571
72 2DYR PGV 30.3571
Pocket No.: 3; Query (leader) PDB : 3T6E; Ligand: UQ9; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 3t6e.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2VK4 TPP 3.93258
2 2DM6 IMN 4.2042
3 5M7S NHT 4.33437
4 4GV4 MEJ 4.64396
5 5D1R 56S 5.02092
6 6C7D EOJ 5.12821
7 2HFP NSI 5.31915
8 2P4Y C03 5.41516
9 1ZPD DPX 5.42636
10 2FHK MFN 7.09459
11 5B4B LP5 7.25806
12 2ZCQ B65 8.53242
13 5V2J 7WV 8.66873
14 5V2J UDP 8.66873
15 1RM6 PCD 11.1111
16 3UOY FAD 11.3553
17 3UOY NAP 11.3553
18 3G08 FEE 12.1212
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