Receptor
PDB id Resolution Class Description Source Keywords
4P8K 2.49 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH T COVALENT INHIBITOR TY38C MYCOBACTERIUM TUBERCULOSIS DPRE1 INHIBITOR COMPLEX NON-COVALENT OXIDOREDUCTASE- OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: 2-CARBOXYQUINOXALINES KILL MYCOBACTERIUM TUBERCULOS THROUGH NONCOVALENT INHIBITION OF DPRE1. ACS CHEM.BIOL. V. 10 705 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
38C A:502;
B:502;
Valid;
Valid;
none;
none;
ic50 = 0.041 uM
377.317 C18 H14 F3 N3 O3 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P8K 2.49 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF M. TUBERCULOSIS DPRE1 IN COMPLEX WITH T COVALENT INHIBITOR TY38C MYCOBACTERIUM TUBERCULOSIS DPRE1 INHIBITOR COMPLEX NON-COVALENT OXIDOREDUCTASE- OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: 2-CARBOXYQUINOXALINES KILL MYCOBACTERIUM TUBERCULOS THROUGH NONCOVALENT INHIBITION OF DPRE1. ACS CHEM.BIOL. V. 10 705 2015
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4P8C ic50 = 0.12 uM Y22 C18 H11 F6 N3 O2 c1cc(ccc1C....
2 4P8Y - 38C C18 H14 F3 N3 O3 COc1ccc(cc....
3 4FDN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4NCR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4FEH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4P8P ic50 = 0.05 uM RG2 C17 H11 Cl F3 N3 O2 c1cc(ccc1C....
7 4P8K ic50 = 0.041 uM 38C C18 H14 F3 N3 O3 COc1ccc(cc....
8 4FDO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4P8L ic50 = 0.072 uM 36C C17 H11 F4 N3 O2 c1cc(ccc1C....
10 4P8M ic50 = 0.088 uM R58 C19 H16 F3 N3 O3 CCOc1ccc(c....
11 4FDP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 4P8N ic50 = 0.08 uM R57 C18 H13 F4 N3 O3 COc1ccc(cc....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4P8C ic50 = 0.12 uM Y22 C18 H11 F6 N3 O2 c1cc(ccc1C....
2 4P8Y - 38C C18 H14 F3 N3 O3 COc1ccc(cc....
3 4FDN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4NCR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4FEH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4P8P ic50 = 0.05 uM RG2 C17 H11 Cl F3 N3 O2 c1cc(ccc1C....
7 4P8K ic50 = 0.041 uM 38C C18 H14 F3 N3 O3 COc1ccc(cc....
8 4FDO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4P8L ic50 = 0.072 uM 36C C17 H11 F4 N3 O2 c1cc(ccc1C....
10 4P8M ic50 = 0.088 uM R58 C19 H16 F3 N3 O3 CCOc1ccc(c....
11 4FDP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 4P8N ic50 = 0.08 uM R57 C18 H13 F4 N3 O3 COc1ccc(cc....
13 4AUT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4P8C ic50 = 0.12 uM Y22 C18 H11 F6 N3 O2 c1cc(ccc1C....
2 4P8Y - 38C C18 H14 F3 N3 O3 COc1ccc(cc....
3 4FDN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4NCR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4FEH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4P8P ic50 = 0.05 uM RG2 C17 H11 Cl F3 N3 O2 c1cc(ccc1C....
7 4P8K ic50 = 0.041 uM 38C C18 H14 F3 N3 O3 COc1ccc(cc....
8 4FDO - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 4P8L ic50 = 0.072 uM 36C C17 H11 F4 N3 O2 c1cc(ccc1C....
10 4P8M ic50 = 0.088 uM R58 C19 H16 F3 N3 O3 CCOc1ccc(c....
11 4FDP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 4P8N ic50 = 0.08 uM R57 C18 H13 F4 N3 O3 COc1ccc(cc....
13 4AUT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: 38C; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 38C 1 1
2 R58 0.819444 0.946429
3 Y22 0.80597 0.851852
4 36C 0.771429 0.836364
5 RG2 0.760563 0.821429
6 R57 0.705128 0.981818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P8K; Ligand: 38C; Similar sites found: 125
This union binding pocket(no: 1) in the query (biounit: 4p8k.bio2) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XAU ADP 0.04949 0.40212 1.04167
2 1CT9 GLN 0.01901 0.43495 1.25
3 1F0X FAD 0.00000001148 0.51936 1.45833
4 1GPM CIT 0.04571 0.41704 1.66667
5 1JZS MRC 0.01346 0.42126 1.875
6 4KBF AMP 0.04637 0.41355 1.91781
7 3ZFD ANP 0.04837 0.40264 1.9943
8 4GQP B40 0.0272 0.43539 2.00803
9 4IAW LIZ 0.004096 0.46655 2.12766
10 5XDR ADP 0.04127 0.40941 2.5
11 2V0C ANZ 0.03915 0.40151 2.5
12 1V9A SAH 0.02876 0.41118 2.51046
13 4AG5 ADP 0.02736 0.43246 2.55102
14 3B6C SDN 0.003984 0.47726 2.5641
15 2VVG ADP 0.04955 0.41736 2.57143
16 3PUR 2HG 0.02026 0.43863 2.65152
17 1V8K ANP 0.03294 0.41808 2.70833
18 3AGC RCC 0.01071 0.40676 2.89855
19 3ZJ0 ACO 0.01703 0.40284 2.91262
20 1W6P NDG GAL 0.03561 0.43256 2.98507
21 5HS2 CTP 0.02169 0.41736 3.01724
22 2AJH MET 0.03844 0.42041 3.06122
23 5UC9 MYR 0.03756 0.42296 3.09735
24 1V0O INR 0.01162 0.42759 3.125
25 2VZ6 FEF 0.0215 0.42436 3.125
26 1NSZ GLC 0.02126 0.43229 3.17003
27 2MBR FAD 0.000009314 0.46862 3.23529
28 2MBR EPU 0.00001985 0.4572 3.23529
29 4CFU 2WC 0.03174 0.41214 3.30033
30 4BCM T7Z 0.02866 0.42918 3.32226
31 5G4J EXT 0.03359 0.40203 3.36323
32 3HQP OXL 0.0212 0.43159 3.54167
33 4FFG 0U8 0.02555 0.425 3.54167
34 3KB6 LAC 0.01877 0.42934 3.59281
35 4EIP FAD 0.000734 0.41362 3.64299
36 3LRE ADP 0.04455 0.42073 3.66197
37 2PS1 ORO 0.01694 0.4377 3.75
38 4B2D FBP 0.03104 0.4095 3.75
39 2GQS ADP 0.03671 0.4058 3.79747
40 1HSK FAD 0.0000001572 0.47295 3.98773
41 5H2U 1N1 0.02858 0.40831 4.11985
42 4RDN 6MD 0.02382 0.43372 4.19162
43 2OQ5 BEN 0.03789 0.4237 4.31034
44 2REG CHT 0.04961 0.40489 4.36242
45 1HGX 5GP 0.03075 0.42344 4.37158
46 3JQ3 ADP 0.03328 0.41784 4.37158
47 2CBZ ATP 0.01168 0.4541 4.64135
48 4PPF FLC 0.0106 0.46251 4.79167
49 5G5G FAD 0.0000363 0.42804 4.79167
50 4WZ6 ATP 0.04386 0.42098 4.82759
51 2DQA NAG NAG NAG 0.04152 0.41263 4.83871
52 2XT3 ADP 0.03128 0.43059 4.94186
53 1JJ7 ADP 0.02363 0.4402 5
54 1WUU ANP 0.02118 0.40356 5.01253
55 1US5 GLU 0.04813 0.40585 5.09554
56 5N53 8NB 0.04374 0.41933 5.12821
57 1M2Z BOG 0.03115 0.4263 5.20833
58 1T3Q FAD 0.00003117 0.42089 5.20833
59 3IX9 NDP 0.01613 0.40149 5.26316
60 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.03163 0.40329 5.30973
61 2YMZ LAT 0.0008729 0.51828 5.38462
62 4WOE ADP 0.00907 0.45953 5.41667
63 3LL5 IP8 0.02122 0.4318 5.62249
64 3A16 PXO 0.003776 0.44467 5.63003
65 2D6M LBT 0.002387 0.48547 5.66038
66 2PZE ATP 0.02314 0.438 6.11354
67 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 0.007843 0.45151 6.15385
68 1SN0 T44 0.04938 0.40526 6.15385
69 1LNX URI 0.0112 0.45413 6.17284
70 4W9N TCL 0.01865 0.43971 6.19469
71 1RM6 FAD 0.000001579 0.46422 6.21118
72 4YMU ATP 0.04269 0.41555 6.25
73 2HRL SIA GAL SIA BGC NGA CEQ 0.04473 0.41442 6.29921
74 1ZN7 ADE 0.02621 0.42344 6.66667
75 1ZN7 HSX 0.02621 0.42344 6.66667
76 1ZN7 PRP 0.01734 0.41595 6.66667
77 4G0P U5P 0.03957 0.42378 6.80272
78 4QM7 GTP 0.006481 0.45593 7.01754
79 1OJ4 ANP 0.0399 0.4011 7.06714
80 2OBM ADP 0.04765 0.41908 7.08333
81 5T7I LAT NAG GAL 0.01852 0.44211 7.09677
82 2I0K FAD 0.0000000007676 0.5409 7.13012
83 3KFF XBT 0.02642 0.43118 7.40741
84 3KFF ZBT 0.02642 0.43118 7.40741
85 2CNT COA 0.02082 0.40926 7.5
86 4R4U COA 0.02642 0.40169 7.61246
87 5AWM ANP 0.03461 0.41692 7.61421
88 4WVW SLT 0.003237 0.48444 7.63889
89 5AGR A52 0.01809 0.42133 7.75862
90 5MOB A8S 0.03071 0.41973 7.75862
91 4JGP PYR 0.03564 0.42398 7.8341
92 3VV1 GAL FUC 0.013 0.44525 7.91667
93 5D3X 4IP 0.04947 0.41571 8.38323
94 1MFD GLA MMA ABE 0.01826 0.42451 8.6758
95 5AHS FAD 0.02282 0.40736 8.72818
96 4CVN ADP 0.03949 0.42129 8.75912
97 3NRZ FAD 0.0003275 0.44676 8.85246
98 1A78 TDG 0.009102 0.45887 8.95522
99 1QKQ MAN 0.01741 0.41683 9.15493
100 2GQT FAD 0.0000008795 0.49758 9.16667
101 2JLR ANP 0.02953 0.4106 9.31264
102 3H4S ADP 0.04355 0.42095 9.62963
103 1PVC ILE SER GLU VAL 0.01352 0.45131 9.66387
104 5E89 TD2 0.04734 0.40018 10.7914
105 1DZK PRZ 0.03496 0.40688 10.828
106 2UUU PL3 0.000000002585 0.57843 11.0417
107 2UUU FAD 0.000000002585 0.57843 11.0417
108 1GXS BEZ 0.02319 0.43526 11.3924
109 5DG2 GAL GLC 0.001024 0.51051 11.8519
110 5AE2 FYC 0.00000002395 0.47617 11.875
111 5AE2 FAD 0.00000002395 0.47617 11.875
112 3LHS SF8 0.03573 0.42376 12.1622
113 2VFT SOR 0.01412 0.43786 12.5592
114 4JB1 NAP 0.000002039 0.48943 12.9412
115 4JB1 FAD 0.000002617 0.48315 12.9412
116 1N62 FAD 0.00002431 0.42691 13.8554
117 5H9Q TD2 0.0008346 0.51555 14.1935
118 2Q4W FAD 0.0000000004125 0.67383 14.375
119 2D0O ADP 0.04206 0.4058 14.4
120 1LFO OLA 0.03541 0.40091 14.8438
121 3W8X FAD 0.0000005752 0.49124 15.2083
122 5HMR FDZ 0.0008962 0.48657 17.0833
123 3OYW TDG 0.003183 0.48271 17.9104
124 4K55 H6P 0.01004 0.45447 23.3871
125 1FFU FAD 0.00005092 0.47399 28.2209
Pocket No.: 2; Query (leader) PDB : 4P8K; Ligand: FAD; Similar sites found: 50
This union binding pocket(no: 2) in the query (biounit: 4p8k.bio2) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F0X FAD 0.00000001148 0.51936 1.45833
2 1E8G FAD 0.00001159 0.44688 1.66667
3 1E8G FCR 0.00001134 0.44552 1.66667
4 5XDR ADP 0.04127 0.40941 2.5
5 1W6P NDG GAL 0.03561 0.43256 2.98507
6 5HS2 CTP 0.02169 0.41736 3.01724
7 5UC9 MYR 0.03756 0.42296 3.09735
8 2MBR FAD 0.000009314 0.46862 3.23529
9 2MBR EPU 0.00001985 0.4572 3.23529
10 5G4J EXT 0.03359 0.40203 3.36323
11 1HSK FAD 0.0000001572 0.47295 3.98773
12 5H2U 1N1 0.02858 0.40831 4.11985
13 4PPF FLC 0.0106 0.46251 4.79167
14 5G5G FAD 0.0000363 0.42804 4.79167
15 4WZ6 ATP 0.04386 0.42098 4.82759
16 5N53 8NB 0.04374 0.41933 5.12821
17 1T3Q FAD 0.00003117 0.42089 5.20833
18 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.03163 0.40329 5.30973
19 2YMZ LAT 0.0008729 0.51828 5.38462
20 4WOE ADP 0.00907 0.45953 5.41667
21 1V97 FAD 0.0007505 0.40986 5.625
22 1RM6 FAD 0.000001579 0.46422 6.21118
23 4YMU ATP 0.04269 0.41555 6.25
24 1ZN7 HSX 0.02621 0.42344 6.66667
25 5T7I LAT NAG GAL 0.01852 0.44211 7.09677
26 2I0K FAD 0.0000000007676 0.5409 7.13012
27 3KFF XBT 0.02642 0.43118 7.40741
28 4R4U COA 0.02642 0.40169 7.61246
29 5AWM ANP 0.03461 0.41692 7.61421
30 4WVW SLT 0.003237 0.48444 7.63889
31 5AGR A52 0.01809 0.42133 7.75862
32 5MOB A8S 0.03071 0.41973 7.75862
33 5D3X 4IP 0.04947 0.41571 8.38323
34 5AHS FAD 0.02282 0.40736 8.72818
35 2GQT FAD 0.0000008795 0.49758 9.16667
36 5E89 TD2 0.04734 0.40018 10.7914
37 2UUU FAD 0.000000002585 0.57843 11.0417
38 2UUU PL3 0.000000002585 0.57843 11.0417
39 5DG2 GAL GLC 0.001024 0.51051 11.8519
40 5AE2 FYC 0.00000002395 0.47617 11.875
41 5AE2 FAD 0.00000002395 0.47617 11.875
42 3LHS SF8 0.03573 0.42376 12.1622
43 4JB1 NAP 0.000002039 0.47849 12.9412
44 4JB1 FAD 0.000002617 0.4781 12.9412
45 1N62 FAD 0.00002431 0.42691 13.8554
46 5H9Q TD2 0.0008346 0.51555 14.1935
47 2Q4W FAD 0.0000000004125 0.54439 14.375
48 3W8X FAD 0.0000005752 0.49124 15.2083
49 5HMR FDZ 0.0008962 0.48657 17.0833
50 1FFU FAD 0.00005092 0.41153 28.2209
Pocket No.: 3; Query (leader) PDB : 4P8K; Ligand: FAD; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 4p8k.bio1) has 63 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DXD 9PC 0.0357 0.40281 2.08333
2 4BQY FNT 0.009753 0.42999 2.38095
3 5KR7 6X9 0.04647 0.4146 2.45232
4 5SVV FMN 0.03375 0.40399 2.91971
5 2XG5 EC2 0.02022 0.44266 4.04624
6 4IE6 UN9 0.01719 0.40074 4.16667
7 1Y7P RIP 0.0002256 0.47225 4.4843
8 4KBA 1QM 0.02651 0.43182 4.53172
9 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.01493 0.41038 4.78723
10 4U0W 16G 0.01041 0.43504 4.87805
11 4QJP V1F 0.02426 0.4009 4.94297
12 5F8F SFG 0.04454 0.40618 5.30504
13 4ITH RCM 0.03986 0.40047 5.44218
14 5EFW FMN 0.04548 0.40023 5.51724
15 5N2F 8HW 0.00976 0.42407 5.64516
16 5MRH Q9Z 0.04057 0.42145 6.04167
17 5UGH 8AJ 0.0358 0.41414 6.04534
18 4RYV ZEA 0.03587 0.4208 6.45161
19 1WUW TSU 0.02771 0.44268 6.66667
20 4X9X OLA 0.02002 0.40232 6.68896
21 3TAY MN0 0.01662 0.40358 7.36196
22 4XMF HSM 0.006293 0.4356 8.15217
23 5TP0 BRN 0.04756 0.42265 8.92857
24 5DKK FMN 0.03018 0.40906 8.96552
25 1I7A PHE 0.01878 0.40695 13.5135
26 4WUJ FMN 0.01881 0.41917 14.966
27 4D5B ACX 0.02635 0.40656 16.8142
Pocket No.: 4; Query (leader) PDB : 4P8K; Ligand: 38C; Similar sites found: 31
This union binding pocket(no: 4) in the query (biounit: 4p8k.bio1) has 64 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1E8G FAD 0.0000154 0.42124 1.66667
2 1E8G FCR 0.00001426 0.4206 1.66667
3 4DXD 9PC 0.03677 0.40281 2.08333
4 4BQY FNT 0.004297 0.44777 2.38095
5 5KR7 6X9 0.04767 0.4146 2.45232
6 5SVV FMN 0.03676 0.40281 2.91971
7 5VAD PRO 0.03183 0.41746 3.54167
8 1FRW GTP 0.04681 0.40567 3.60825
9 2XG5 EC2 0.0207 0.44266 4.04624
10 5X8I SQZ 0.04319 0.40465 4.04624
11 1Y7P RIP 0.000232 0.47225 4.4843
12 4KBA 1QM 0.02721 0.43182 4.53172
13 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.006095 0.42849 4.78723
14 4QJP V1F 0.02507 0.4009 4.94297
15 5F8F SFG 0.04577 0.40618 5.30504
16 4ITH RCM 0.04104 0.40047 5.44218
17 5EFW FMN 0.04679 0.40023 5.51724
18 5N2F 8HW 0.0101 0.42407 5.64516
19 5MRH Q9Z 0.04161 0.42145 6.04167
20 5UGH 8AJ 0.0368 0.41414 6.04534
21 4RYV ZEA 0.03682 0.4208 6.45161
22 1WUW TSU 0.02836 0.44268 6.66667
23 4X9X OLA 0.02071 0.40232 6.68896
24 3TAY MN0 0.01697 0.40385 7.36196
25 4XMF HSM 0.006445 0.4356 8.15217
26 5TP0 BRN 0.0487 0.42265 8.92857
27 5DKK FMN 0.03108 0.40906 8.96552
28 5D48 L96 0.01819 0.40481 13.1579
29 1I7A PHE 0.0192 0.40695 13.5135
30 4WUJ FMN 0.0194 0.41917 14.966
31 4D5B ACX 0.02717 0.40656 16.8142
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