Receptor
PDB id Resolution Class Description Source Keywords
4KGD 1.06 Å EC: 1.2.3.3 HIGH-RESOLUTION CRYSTAL STRUCTURE OF PYRUVATE OXIDASE FROM L PLANTARUM IN COMPLEX WITH PHOSPHATE LACTOBACILLUS PLANTARUM CARBANION STRUCTURE ACTIVITY RELATIONSHIP OXIDATION-REDUCTUMPOLUNG THIAMINE DIPHOSPHATE REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: OBSERVATION OF A STABLE CARBENE AT THE ACTIVE SITE THIAMIN ENZYME. NAT.CHEM.BIOL. V. 9 488 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:702;
B:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
K A:709;
Part of Protein;
none;
submit data
39.098 K [K+]
PO4 B:704;
A:703;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
GOL A:705;
A:706;
B:705;
A:707;
B:708;
A:708;
B:706;
B:709;
B:707;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TDP A:704;
B:703;
Valid;
Valid;
none;
none;
submit data
424.306 C12 H18 N4 O7 P2 S Cc1c(...
FAD B:701;
A:701;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KGD 1.06 Å EC: 1.2.3.3 HIGH-RESOLUTION CRYSTAL STRUCTURE OF PYRUVATE OXIDASE FROM L PLANTARUM IN COMPLEX WITH PHOSPHATE LACTOBACILLUS PLANTARUM CARBANION STRUCTURE ACTIVITY RELATIONSHIP OXIDATION-REDUCTUMPOLUNG THIAMINE DIPHOSPHATE REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: OBSERVATION OF A STABLE CARBENE AT THE ACTIVE SITE THIAMIN ENZYME. NAT.CHEM.BIOL. V. 9 488 2013
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KGD - TDP C12 H18 N4 O7 P2 S Cc1c(sc[n+....
2 2EZ8 - PYR C3 H4 O3 CC(=O)C(=O....
3 4FEG - PYR C3 H4 O3 CC(=O)C(=O....
4 1POX - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
5 2EZT - PYR C3 H4 O3 CC(=O)C(=O....
6 1Y9D - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
7 2EZ9 - TDK C15 H26 N4 O11 P3 S Cc1c(sc([n....
8 2EZ4 - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
9 1POW - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
10 4FEE - PYR C3 H4 O3 CC(=O)C(=O....
11 2EZU - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
12 1V5E - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 1V5F - TPP C12 H19 N4 O7 P2 S Cc1c(sc[n+....
14 1V5G - HTL C14 H21 N4 O8 P2 S Cc1c(sc([n....
15 2DJI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TDP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 TDP 1 1
2 TPP 0.84 0.985714
3 V4E 0.797468 0.985714
4 TPS 0.77027 0.942857
5 TMV 0.75 0.944444
6 VNP 0.703704 0.945205
7 N1T 0.674699 1
8 2TP 0.609195 0.918919
9 VIB 0.605263 0.760563
10 5SR 0.582418 0.958333
11 FTP 0.574713 0.847222
12 O2T 0.546392 0.896104
13 PYI 0.483871 0.873239
14 TDW 0.474227 0.958333
15 HTL 0.474227 0.945205
16 THV 0.46 0.945205
17 TD6 0.457143 0.907895
18 WWF 0.455446 0.92
19 TOG 0.451923 0.907895
20 TPW 0.451613 0.885714
21 THY 0.45098 0.932432
22 TD9 0.448598 0.907895
23 TD8 0.448598 0.907895
24 THW 0.447619 0.945205
25 TDL 0.446602 0.884615
26 TDK 0.442308 0.907895
27 D7K 0.415929 0.896104
28 TPU 0.410526 0.828947
29 R1T 0.405941 0.873239
30 S1T 0.405941 0.873239
31 T6F 0.403509 0.884615
32 T5X 0.403509 0.884615
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 : 4KGD; Ligand: TDP; Similar sites found: 107
This union binding pocket(no: 1) in the query (biounit: 4kgd.bio1) has 93 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YRX FMN 0.002012 0.45915 None
2 2E1A MSE 0.007904 0.44619 None
3 1WDA BAG 0.03933 0.41339 1.16086
4 1D8C GLV 0.04194 0.41156 1.16086
5 2NPX FAD 0.0006309 0.41294 1.78971
6 3DGB MUC 0.0275 0.41336 1.83246
7 2BH9 NAP 0.01157 0.42275 1.84049
8 2NCD ADP 0.03462 0.4242 2.38095
9 2IYG FMN 0.02798 0.41303 2.41935
10 1KPG SAH 0.03147 0.40575 2.43902
11 1O9U ADZ 0.03019 0.44861 2.57143
12 1PEA ACM 0.008818 0.47183 2.5974
13 4Q3S X7A 0.01167 0.40307 2.5974
14 1RZM E4P 0.001294 0.50919 2.66272
15 1RZM PEP 0.004818 0.46133 2.66272
16 3OFK SAH 0.0198 0.41532 2.77778
17 2RL1 UD1 0.004107 0.41531 3.06604
18 2C5S AMP 0.006354 0.45063 3.1477
19 1Y8Q ATP 0.01507 0.41579 3.17919
20 4COQ SAN 0.008479 0.46017 3.23887
21 1Z44 FMN 0.001642 0.46295 3.25444
22 3MAG 3MA 0.03656 0.45051 3.25733
23 3MAG SAH 0.005799 0.42482 3.25733
24 3A1I UNU 0.005052 0.45054 3.26296
25 3PLN U5P 0.01978 0.43178 3.30189
26 2Q37 3AL 0.01195 0.44725 3.31492
27 4FFS BIG 0.009485 0.40771 3.34728
28 4NV0 MG7 0.02676 0.44107 3.44828
29 4IXW IXW 0.02735 0.42087 3.54331
30 3P3N AKG 0.02679 0.43453 3.72493
31 2WA4 069 0.0219 0.41779 3.72493
32 3TLJ SAH 0.0318 0.40317 3.75335
33 3G2O SAM 0.01216 0.43414 3.81426
34 1V6A TRE 0.001959 0.48612 3.91566
35 4F4S EFO 0.01131 0.44351 3.94737
36 4DMG SAM 0.002295 0.487 4.07125
37 1G55 SAH 0.01294 0.42975 4.08163
38 4F8L GAL 0.01093 0.49058 4.13793
39 1SJW NGV 0.001818 0.45661 4.16667
40 4P4T GDP 0.01951 0.40693 4.16667
41 4E28 9MZ 0.04326 0.42374 4.30769
42 4NEC SAH 0.02557 0.42398 4.54545
43 4OBW SAM 0.00423 0.45693 4.66926
44 2VDV SAM 0.002586 0.47971 4.87805
45 2FK8 SAM 0.01713 0.42098 5.03145
46 1XDS SAM 0.01744 0.43602 5.08021
47 3LST SAH 0.04874 0.41533 5.17241
48 1G8S MET 0.004693 0.47329 5.21739
49 3ZPG 5GP 0.01362 0.46835 5.2356
50 2B5W NAP 0.002495 0.40013 5.32213
51 1SZD APR 0.00102 0.44074 5.38721
52 2AHR NAP 0.0005382 0.43076 5.40541
53 1N9L FMN 0.003316 0.43793 5.50459
54 3VYW SAM 0.03907 0.40365 5.51948
55 2QLX RM4 0.004403 0.48119 5.55556
56 1YOA FMN 0.01769 0.47767 5.66038
57 1YOA FAD 0.01485 0.40314 5.66038
58 2ASF CIT 0.008906 0.40871 5.83942
59 2V5E SCR 0.001194 0.53828 5.94059
60 1LVL NAD 0.004691 0.44796 6.11354
61 1JQ3 AAT 0.01312 0.40101 6.75676
62 3S9K CIT 0.01352 0.49289 6.77966
63 1Y42 TYR 0.002088 0.47877 6.88775
64 3GDH SAH 0.003935 0.44236 7.13101
65 3JUC PCA 0.03948 0.43655 7.18954
66 1JG3 ADN 0.001678 0.47683 7.23404
67 2X7J TPP 0.0001213 0.507 7.79436
68 1W7J ADP BEF 0.01593 0.41361 7.94702
69 2DT5 NAD 0.004476 0.40371 8.53081
70 1V7R CIT 0.01598 0.47189 8.60215
71 2F2U M77 0.02709 0.41725 8.70647
72 4KWI 1TJ 0.0003976 0.40919 9.12547
73 4KWI NAP 0.0004831 0.40918 9.12547
74 1SS4 GSH 0.003701 0.5302 9.15033
75 1SS4 CIT 0.01286 0.4923 9.15033
76 2FYU FDN 0.0181 0.40825 9.67742
77 1EJE FMN 0.003388 0.43755 9.89583
78 3U7Y FLC 0.03392 0.46223 10
79 2Z9V PXM 0.005311 0.4593 10.2041
80 1O97 AMP 0.00009517 0.40064 10.2273
81 2PR5 FMN 0.002843 0.44061 10.6061
82 3SHR CMP 0.002536 0.46414 10.7023
83 3A27 SAM 0.01118 0.43595 11.0294
84 3F81 STT 0.01995 0.4589 12.0219
85 1TUV VK3 0.008367 0.48036 12.2807
86 2NXE SAM 0.004007 0.45809 12.9921
87 3EGV SAH 0.006222 0.4521 12.9921
88 1EFV FAD 0.0001433 0.42839 13.7255
89 1EFV AMP 0.000161 0.42684 13.7255
90 2JGS BTN 0.04838 0.41482 14.6154
91 4QTU SAM 0.01659 0.42446 14.9038
92 4Q0A 4OA 0.004891 0.43115 15.2318
93 4ASJ N6A 0.004862 0.4184 15.6997
94 3DMH SAM 0.01076 0.43068 16.273
95 2A2X NA9 0.01418 0.41254 20.5882
96 1G8K MGD 0.007593 0.40282 24.812
97 1YBH FAD 0.0000000346 0.45255 38.4746
98 2C31 TZD 0.00005074 0.42607 40.1408
99 2C31 ADP 0.00008721 0.41883 40.1408
100 2UZ1 TPP 0.00001623 0.54601 42.2735
101 3FSJ D7K 0.0000000007027 0.45794 42.4242
102 1T9D P22 0.0004863 0.57363 43.4494
103 1T9D FAD 0.0000002549 0.56116 43.4494
104 1T9D P25 0.0000000009298 0.52046 43.4494
105 1T9D PYD 0.0009462 0.50765 43.4494
106 1T9D 1MM 0.000006426 0.46826 43.4494
107 2IHU TP9 0.000002792 0.54089 44.5026
Pocket No.: 2; Query (leader) PDB : 4KGD; Ligand: FAD; Similar sites found: 111
This union binding pocket(no: 2) in the query (biounit: 4kgd.bio1) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YRX FMN 0.002083 0.45915 None
2 2E1A MSE 0.00814 0.44619 None
3 1WDA BAG 0.0265 0.42208 1.16086
4 1D8C GLV 0.04269 0.41156 1.16086
5 1B7Y FYA 0.004341 0.41508 1.71429
6 2NPX FAD 0.001725 0.40108 1.78971
7 3DGB MUC 0.01076 0.43211 1.83246
8 2BH9 NAP 0.01715 0.41608 1.84049
9 3ABI NAD 0.01597 0.404 1.91781
10 2NCD ADP 0.03548 0.4242 2.38095
11 2IYG FMN 0.02878 0.41303 2.41935
12 1KPG SAH 0.03231 0.40575 2.43902
13 3WMX NAD 0.01439 0.40805 2.48756
14 1O9U ADZ 0.01023 0.476 2.57143
15 1PEA ACM 0.009041 0.47183 2.5974
16 1RZM E4P 0.001333 0.50919 2.66272
17 1RZM PEP 0.004122 0.46521 2.66272
18 3OFK SAH 0.02034 0.41532 2.77778
19 2RL1 UD1 0.004277 0.41531 3.06604
20 2C5S AMP 0.006547 0.45063 3.1477
21 1Y8Q ATP 0.0103 0.42392 3.17919
22 4COQ SAN 0.00871 0.46017 3.23887
23 1Z44 FMN 0.001701 0.46295 3.25444
24 3MAG 3MA 0.0127 0.47838 3.25733
25 3MAG SAH 0.00367 0.43325 3.25733
26 3A1I UNU 0.005651 0.44894 3.26296
27 3PLN U5P 0.02031 0.43178 3.30189
28 2Q37 3AL 0.01228 0.44725 3.31492
29 4FFS BIG 0.009841 0.40771 3.34728
30 4NV0 MG7 0.02735 0.44107 3.44828
31 4IXW IXW 0.0281 0.42087 3.54331
32 3P3N AKG 0.02746 0.43453 3.72493
33 2WA4 069 0.02254 0.41779 3.72493
34 3TLJ SAH 0.03333 0.40276 3.75335
35 3G2O SAM 0.01262 0.43392 3.81426
36 1V6A TRE 0.001806 0.48852 3.91566
37 4F4S EFO 0.01163 0.44351 3.94737
38 4DMG SAM 0.00236 0.487 4.07125
39 1G55 SAH 0.0133 0.42975 4.08163
40 4F8L GAL 0.01117 0.49058 4.13793
41 1SJW NGV 0.02799 0.40702 4.16667
42 4P4T GDP 0.02014 0.40693 4.16667
43 4QB6 GCU XYP 0.03036 0.41133 4.26829
44 4E28 9MZ 0.01301 0.45123 4.30769
45 4E28 0MZ 0.0203 0.43636 4.30769
46 4NEC SAH 0.02583 0.42431 4.54545
47 4OBW SAM 0.00481 0.45477 4.66926
48 2VDV SAM 0.002659 0.47971 4.87805
49 2FK8 SAM 0.0176 0.42098 5.03145
50 1XDS SAM 0.01788 0.43602 5.08021
51 3LST SAH 0.04983 0.41533 5.17241
52 1G8S MET 0.004826 0.47329 5.21739
53 3ZPG 5GP 0.0007777 0.53941 5.2356
54 2B5W NAP 0.002434 0.40109 5.32213
55 1SZD APR 0.000519 0.4529 5.38721
56 2AHR NAP 0.0004274 0.43467 5.40541
57 1N9L FMN 0.003437 0.43793 5.50459
58 3VYW SAM 0.03695 0.40537 5.51948
59 2QLX RM4 0.004524 0.48119 5.55556
60 1YOA FMN 0.01806 0.47767 5.66038
61 1C1L GAL BGC 0.03893 0.43154 5.83942
62 2ASF CIT 0.009242 0.40871 5.83942
63 2V5E SCR 0.001225 0.53828 5.94059
64 1LVL NAD 0.004832 0.44796 6.11354
65 1JQ3 AAT 0.01206 0.40307 6.75676
66 3S9K CIT 0.01378 0.49289 6.77966
67 1Y42 TYR 0.002011 0.4802 6.88775
68 3GDH SAH 0.004064 0.44235 7.13101
69 3JUC PCA 0.04025 0.43655 7.18954
70 1JG3 ADN 0.001639 0.478 7.23404
71 4L1F COS 0.002063 0.43274 7.5718
72 2X7J TPP 0.0001261 0.507 7.79436
73 1W7J ADP BEF 0.01644 0.41361 7.94702
74 2I3G NAP 0.003058 0.40489 8.23864
75 2DT5 NAD 0.004212 0.4052 8.53081
76 1V7R CIT 0.01634 0.47189 8.60215
77 2F2U M77 0.02785 0.41725 8.70647
78 4KWI 1TJ 0.0004226 0.40919 9.12547
79 4KWI NAP 0.0005127 0.40918 9.12547
80 1SS4 CIT 0.00005251 0.62731 9.15033
81 1SS4 GSH 0.007216 0.50564 9.15033
82 2FYU FDN 0.01869 0.40825 9.67742
83 1EJE FMN 0.003513 0.43755 9.89583
84 3U7Y FLC 0.03457 0.46223 10
85 2Z9V PXM 0.005469 0.4593 10.2041
86 2PR5 FMN 0.002948 0.44061 10.6061
87 3SHR CMP 0.00262 0.46414 10.7023
88 3A27 SAM 0.01139 0.43613 11.0294
89 3F81 STT 0.004886 0.49421 12.0219
90 1TUV VK3 0.008572 0.48036 12.2807
91 2NXE SAM 0.003786 0.45994 12.9921
92 3EGV SAH 0.006396 0.4521 12.9921
93 1EFV FAD 0.0001599 0.42768 13.7255
94 1EFV AMP 0.0001703 0.42684 13.7255
95 2JGS BTN 0.04958 0.41482 14.6154
96 4QTU SAM 0.01735 0.42408 14.9038
97 4Q0A 4OA 0.005066 0.43115 15.2318
98 4ASJ N6A 0.005053 0.4184 15.6997
99 3DMH SAM 0.01013 0.43252 16.273
100 2A2X NA9 0.01465 0.41254 20.5882
101 1G8K MGD 0.007307 0.40406 24.812
102 1YBH FAD 0.00000003696 0.44906 38.4746
103 2C31 TZD 0.00008031 0.41894 40.1408
104 2C31 ADP 0.00007539 0.41894 40.1408
105 2UZ1 TPP 0.00001694 0.54601 42.2735
106 3FSJ D7K 0.0000000007522 0.45418 42.4242
107 1T9D FAD 0.0000002713 0.56116 43.4494
108 1T9D P25 0.000000001087 0.52046 43.4494
109 1T9D PYD 0.0009741 0.50765 43.4494
110 1T9D 1MM 0.000006734 0.46855 43.4494
111 2IHU TP9 0.000002943 0.54089 44.5026
Pocket No.: 3; Query (leader) PDB : 4KGD; Ligand: TDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KGD; Ligand: FAD; 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: 4kgd.bio1) has 92 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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