Receptor
PDB id Resolution Class Description Source Keywords
2GJN 2.3 Å EC: 1.13.11.32 CRYSTAL STRUCTURE OF 2-NITROPROPANE DIOXYGENASE COMPLEXED WI SUBSTRATE PSEUDOMONAS AERUGINOSA PAO1 2-NITROPROPANE DIOXYGENASE FMN 2-NITROPROPANE SUBSTRATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 2-NITROPROPANE DIOXYGENASE COM WITH FMN AND SUBSTRATE: IDENTIFICATION OF THE CATAL J.BIOL.CHEM. V. 281 18660 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1904;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NIS A:500;
Valid;
none;
submit data
89.093 C3 H7 N O2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GJN 2.3 Å EC: 1.13.11.32 CRYSTAL STRUCTURE OF 2-NITROPROPANE DIOXYGENASE COMPLEXED WI SUBSTRATE PSEUDOMONAS AERUGINOSA PAO1 2-NITROPROPANE DIOXYGENASE FMN 2-NITROPROPANE SUBSTRATE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF 2-NITROPROPANE DIOXYGENASE COM WITH FMN AND SUBSTRATE: IDENTIFICATION OF THE CATAL J.BIOL.CHEM. V. 281 18660 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2GJN - NIS C3 H7 N O2 CC(C)[N+](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2GJN - NIS C3 H7 N O2 CC(C)[N+](....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5GVH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2Z6J Ki < 29 nM TUI C21 H18 N6 O4 S2 c1ccnc(c1)....
3 2GJL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2GJN - NIS C3 H7 N O2 CC(C)[N+](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: NIS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NIS 1 1
2 NO3 0.416667 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GJN; Ligand: FMN; Similar sites found: 109
This union binding pocket(no: 1) in the query (biounit: 2gjn.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QDS PGA 0.00003015 0.42614 1.19522
2 5CSS G3P 0.00004485 0.41473 1.32743
3 3EAU PDN 0.008224 0.40221 1.52905
4 3B0P FMN 0.0000006848 0.50089 2.13415
5 2FJK 13P 0.0015 0.46269 2.29508
6 4YMZ 13P 0.00007394 0.40928 2.39044
7 3ATY FMN 0.00006402 0.46844 2.43902
8 4TMC FMN 0.00006895 0.45917 2.43902
9 4TMC HBA 0.0001192 0.45839 2.43902
10 1DJN FMN 0.001616 0.41141 2.7439
11 1UY4 XYP XYP XYP XYP 0.03055 0.40367 2.75862
12 1EXB NDP 0.005347 0.40651 2.91262
13 1PS9 FMN 0.00006675 0.45897 3.04878
14 2GOU FMN 0.000671 0.44335 3.04878
15 2BTM PGA 0.00008996 0.40614 3.1746
16 3MJY IJZ 0.000135 0.4703 3.35366
17 3MJY FMN 0.000135 0.4703 3.35366
18 4WZH FMN 0.0001746 0.45585 3.35366
19 1VYP FMN 0.0003222 0.44534 3.35366
20 1VYP TNF 0.0005076 0.43392 3.35366
21 1VHN FMN 0.00008263 0.42027 3.45912
22 3C3N FMN 0.0005735 0.44878 3.52564
23 1SW0 PGA 0.00005259 0.42465 3.62903
24 4A3U FMN 0.00006808 0.45355 3.63128
25 3TAO PGH 0.00005256 0.42141 3.74532
26 3HF3 FMN 0.00004522 0.46422 3.96341
27 4M5P FMN 0.000378 0.42637 3.96341
28 4JTA NAP 0.005149 0.40718 3.96341
29 2HSA FMN 0.000008992 0.51272 4.26829
30 4JIQ 1L5 0.0000726 0.47091 4.26829
31 4JIQ FMN 0.0000726 0.47091 4.26829
32 4PLG NAI 0.009541 0.40058 4.26829
33 1TRD PGH 0.00004866 0.42662 4.4
34 1UJP CIT 0.009104 0.40848 4.42804
35 3OIX FMN 0.000251 0.44257 4.57317
36 1ICP FMN 0.00002024 0.49858 4.87805
37 1F76 FMN 0.001006 0.42581 4.87805
38 3GAY P6T 0.001383 0.4376 4.95356
39 2Q3O FMN 0.00001089 0.48916 5.18293
40 1UUO FMN 0.0004677 0.47056 5.18293
41 1UUO BRF 0.0005126 0.47056 5.18293
42 1UUO ORO 0.0004677 0.47056 5.18293
43 1OYB HBA 0.0001105 0.46554 5.18293
44 4IGH 1EA 0.0009781 0.46371 5.18293
45 4IGH ORO 0.0009781 0.46371 5.18293
46 4IGH FMN 0.0009781 0.46371 5.18293
47 1OYB FMN 0.00006965 0.46268 5.18293
48 2YPI PGA 0.00002586 0.42685 5.26316
49 1Z44 FMN 0.00007944 0.51327 5.4878
50 2RDT 2RD 0.00003426 0.49287 5.4878
51 1Z42 FMN 0.0002896 0.49224 5.4878
52 2RDT FMN 0.00002275 0.49081 5.4878
53 5OCS FMN 0.000008443 0.47362 5.4878
54 1GTE FMN 0.0001868 0.46745 5.4878
55 1GTE IUR 0.0001868 0.46745 5.4878
56 1Z48 FMN 0.00009058 0.4287 5.4878
57 1Z41 FMN 0.00008296 0.42808 5.4878
58 5EYW PGA 0.0001198 0.40384 5.62249
59 4QNW FMN 0.000009859 0.48561 5.79268
60 3KRU FMN 0.0005645 0.44503 5.79268
61 4EWN 0VR 0.00002844 0.44465 5.79268
62 2C6Q NDP 0.00122 0.44318 5.79268
63 2C6Q IMP 0.0006547 0.42889 5.79268
64 2Q3R FMN 0.000002933 0.49711 6.09756
65 1OVD ORO 0.00006969 0.48788 6.10932
66 1OVD FMN 0.00006969 0.48788 6.10932
67 3W9Z FMN 0.00001054 0.47233 6.21118
68 2B4G FMN 0.0004117 0.44285 6.30915
69 1ME8 RVP 0.0004548 0.45422 6.40244
70 1PVN MZP 0.0007996 0.44764 6.40244
71 2BLE 5GP 0.0007717 0.43361 6.40244
72 4BI7 PGA 0.000154 0.4021 6.61479
73 1OFD FMN 0.0000002269 0.58883 6.70732
74 1OFD AKG 0.0000005827 0.56834 6.70732
75 2FLI DX5 0.00008799 0.44648 6.81818
76 1KBI PYR 0.00001212 0.50366 7.0122
77 1KBJ FMN 0.0000114 0.50266 7.0122
78 2NLI FMN 0.00001095 0.493 7.0122
79 2R14 FMN 0.0002312 0.44524 7.0122
80 1KBI FMN 0.002049 0.44509 7.0122
81 2R14 TXD 0.0002759 0.42265 7.0122
82 2NLI LAC 0.02485 0.41891 7.0122
83 2ZRU FMN 0.000006829 0.52955 7.31707
84 4N02 FNR 0.00007193 0.46697 7.31707
85 4AF0 IMP 0.0002328 0.43727 7.31707
86 1TB3 FMN 0.00001201 0.50952 7.62195
87 4CW5 FMN 0.000000008224 0.57834 8.23171
88 1LYX PGA 0.00004963 0.43072 8.46774
89 1P4C FMN 0.000006604 0.5218 8.53659
90 1OX5 1PR 0.0002756 0.45147 8.53659
91 3OVR 5SP 0.0001895 0.43988 8.77193
92 4XP7 FNR 0.0000004091 0.5215 8.84146
93 4ORM 2V6 0.0004796 0.47667 8.84146
94 4ORM FMN 0.0004796 0.47667 8.84146
95 4ORM ORO 0.0004796 0.47667 8.84146
96 1TV5 ORO 0.009427 0.435 8.84146
97 1TV5 FMN 0.0005729 0.43352 8.84146
98 2OX9 GAL NAG FUC 0.02686 0.40062 10.7143
99 1AL8 DHP 0.00004143 0.48784 10.9756
100 1AL8 FMN 0.00002094 0.48446 10.9756
101 4JEJ 1GP 0.00005481 0.42471 11.4754
102 5A5W GUO 0.0001203 0.482 14.2292
103 2Y88 2ER 0.00004912 0.49271 15.1639
104 1EP2 FMN 0.0004343 0.44358 20.9003
105 1EP2 ORO 0.0007138 0.44358 20.9003
106 4IXH IMP 0.000487 0.43002 25.3049
107 3BW2 FMN 0.0000000006767 0.68073 40.8537
108 4Q4K FMN 0.00000000005579 0.71243 46.9512
109 2Z6I FMN 0.00000000002829 0.69502 49.3902
Pocket No.: 2; Query (leader) PDB : 2GJN; Ligand: NIS; Similar sites found: 102
This union binding pocket(no: 2) in the query (biounit: 2gjn.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QDS PGA 0.00003506 0.41262 1.19522
2 5CSS G3P 0.00005312 0.40195 1.32743
3 3B0P FMN 0.0000008555 0.48294 2.13415
4 2FJK 13P 0.001733 0.46269 2.29508
5 3ATY FMN 0.00007377 0.45361 2.43902
6 4TMC FMN 0.00008113 0.44521 2.43902
7 4TMC HBA 0.0001403 0.44439 2.43902
8 1DJN FMN 0.001233 0.40754 2.7439
9 1PS9 FMN 0.00008167 0.444 3.04878
10 2GOU FMN 0.0009979 0.43009 3.04878
11 3MJY IJZ 0.0001918 0.45688 3.35366
12 3MJY FMN 0.0001918 0.45688 3.35366
13 4WZH FMN 0.0001619 0.4462 3.35366
14 1VYP FMN 0.0003561 0.43478 3.35366
15 1VYP TNF 0.0005211 0.42369 3.35366
16 1VHN FMN 0.00009818 0.40733 3.45912
17 3C3N FMN 0.0006715 0.43951 3.52564
18 1SW0 PGA 0.00006148 0.41188 3.62903
19 4A3U FMN 0.0000802 0.43978 3.63128
20 3TAO PGH 0.00005779 0.40976 3.74532
21 3HF3 FMN 0.00005554 0.44829 3.96341
22 4M5P FMN 0.0003263 0.41879 3.96341
23 2HSA FMN 0.000009875 0.50209 4.26829
24 4JIQ FMN 0.00008651 0.45544 4.26829
25 4JIQ 1L5 0.00008651 0.45544 4.26829
26 1BW9 PPY 0.02065 0.40141 4.26829
27 1TRD PGH 0.00005727 0.41375 4.4
28 1UJP CIT 0.01049 0.40848 4.42804
29 3OIX FMN 0.0002482 0.43312 4.57317
30 1ICP FMN 0.00003329 0.48166 4.87805
31 1F76 FMN 0.0008997 0.41854 4.87805
32 3GAY P6T 0.001632 0.4376 4.95356
33 2Q3O FMN 0.00001239 0.47412 5.18293
34 1UUO FMN 0.0005409 0.46123 5.18293
35 1UUO BRF 0.0005941 0.46123 5.18293
36 1UUO ORO 0.0005409 0.46123 5.18293
37 4IGH ORO 0.0009928 0.4572 5.18293
38 4IGH FMN 0.0009928 0.4572 5.18293
39 4IGH 1EA 0.0009928 0.4572 5.18293
40 1OYB HBA 0.0001501 0.45094 5.18293
41 1OYB FMN 0.0000866 0.44754 5.18293
42 2YPI PGA 0.00002535 0.41568 5.26316
43 1Z44 FMN 0.00009246 0.51379 5.4878
44 1Z42 FMN 0.000329 0.49298 5.4878
45 2RDT 2RD 0.00004599 0.47962 5.4878
46 2RDT FMN 0.00002348 0.47669 5.4878
47 1GTE IUR 0.0001816 0.46071 5.4878
48 1GTE FMN 0.0001816 0.46071 5.4878
49 5OCS FMN 0.00001017 0.45739 5.4878
50 1Z48 FMN 0.0001052 0.41586 5.4878
51 1Z41 FMN 0.00009935 0.41437 5.4878
52 4QNW FMN 0.00001184 0.46976 5.79268
53 3KRU FMN 0.0007864 0.43281 5.79268
54 2C6Q NDP 0.001651 0.43172 5.79268
55 4EWN 0VR 0.00003334 0.43144 5.79268
56 2C6Q IMP 0.0007592 0.41621 5.79268
57 2Q3R FMN 0.000004105 0.47895 6.09756
58 1OVD FMN 0.00009598 0.47451 6.10932
59 1OVD ORO 0.00009598 0.47451 6.10932
60 3W9Z FMN 0.00001204 0.45804 6.21118
61 2B4G FMN 0.0004501 0.43303 6.30915
62 1ME8 RVP 0.000584 0.44319 6.40244
63 1PVN MZP 0.001206 0.43408 6.40244
64 2BLE 5GP 0.00101 0.42273 6.40244
65 1OFD FMN 0.0000003498 0.5701 6.70732
66 1OFD AKG 0.0000009138 0.54994 6.70732
67 2FLI DX5 0.00002481 0.45393 6.81818
68 1KBI PYR 0.00001421 0.48965 7.0122
69 1KBJ FMN 0.00001118 0.48917 7.0122
70 2NLI FMN 0.0000112 0.47871 7.0122
71 2R14 FMN 0.0003258 0.44506 7.0122
72 1KBI FMN 0.002704 0.4342 7.0122
73 2R14 TXD 0.0004036 0.42403 7.0122
74 2NLI LAC 0.0321 0.40948 7.0122
75 2ZRU FMN 0.000009295 0.515 7.31707
76 4N02 FNR 0.00006411 0.45727 7.31707
77 4AF0 IMP 0.0002301 0.42643 7.31707
78 1TB3 FMN 0.00001643 0.49534 7.62195
79 4CW5 FMN 0.0000000108 0.55464 8.23171
80 1LYX PGA 0.00005503 0.4182 8.46774
81 1P4C FMN 0.000008633 0.50802 8.53659
82 1OX5 1PR 0.0003884 0.43873 8.53659
83 3OVR 5SP 0.0001175 0.43603 8.77193
84 4XP7 FNR 0.0000005185 0.50211 8.84146
85 4ORM 2V6 0.0005858 0.46628 8.84146
86 4ORM FMN 0.0005858 0.46628 8.84146
87 4ORM ORO 0.0005858 0.46628 8.84146
88 1TV5 FMN 0.0005409 0.43642 8.84146
89 2OX9 GAL NAG FUC 0.02961 0.40062 10.7143
90 1AL8 DHP 0.0000537 0.47533 10.9756
91 1AL8 FMN 0.00001978 0.47203 10.9756
92 4JEJ 1GP 0.00006535 0.4114 11.4754
93 1GPE FAD 0.008653 0.40498 12.8049
94 5A5W GUO 0.0001381 0.47208 14.2292
95 2Y88 2ER 0.00007091 0.47834 15.1639
96 1EP2 ORO 0.0006253 0.43944 20.9003
97 1EP2 FMN 0.000422 0.43734 20.9003
98 4IXH IMP 0.0004681 0.42022 25.3049
99 3CTL S6P 0.0007619 0.40157 27.7056
100 3BW2 FMN 0.0000000005833 0.6685 40.8537
101 4Q4K FMN 0.00000000003863 0.69152 46.9512
102 2Z6I FMN 0.00000000003993 0.66363 49.3902
Pocket No.: 3; Query (leader) PDB : 2GJN; Ligand: FMN; Similar sites found: 218
This union binding pocket(no: 3) in the query (biounit: 2gjn.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2OYS FMN 0.0001701 0.40757 None
2 2BNF UTP 0.002539 0.40025 0.829876
3 1Q3Q ANP 0.002424 0.41637 1.82927
4 1SOW NAD 0.0009262 0.40682 1.82927
5 4DQ2 BTX 0.0006803 0.40663 1.82927
6 1HV9 UD1 0.003265 0.40274 1.82927
7 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002747 0.40127 1.82927
8 3IAE D7K 0.001277 0.40109 1.82927
9 1REO FAD 0.002583 0.40109 1.82927
10 3M0J OAF 0.001127 0.40279 1.9544
11 4IAE 1DX 0.001113 0.42246 2.1164
12 4W6Z 8ID 0.0003654 0.42488 2.13415
13 3WE0 FAD 0.0006766 0.4243 2.13415
14 2XVF FAD 0.001009 0.412 2.13415
15 4CKU P2F 0.002325 0.41038 2.13415
16 1SB8 NAD 0.002618 0.40866 2.13415
17 1SB8 UD2 0.003299 0.40866 2.13415
18 1UDB UFG 0.005066 0.40155 2.13415
19 1UDB NAD 0.005066 0.40155 2.13415
20 4CS4 AXZ 0.001231 0.41574 2.18978
21 3E5H GNP 0.0001598 0.41814 2.24719
22 3Q9T FAY 0.0004499 0.42447 2.43902
23 1KOL NAD 0.000914 0.41217 2.43902
24 2IMP NAI 0.007462 0.41072 2.43902
25 4IOK ADP 0.0004708 0.40831 2.43902
26 2C31 ADP 0.01012 0.40264 2.43902
27 2DKH FAD 0.001464 0.40192 2.43902
28 2DKH 3HB 0.002535 0.40135 2.43902
29 1RM0 D6P 0.004954 0.40024 2.43902
30 1HDR NAD 0.002826 0.40842 2.45902
31 4CMF PXG 0.003449 0.40637 2.48447
32 1SS4 GSH 0.001475 0.51124 2.61438
33 1SS4 CIT 0.008136 0.4611 2.61438
34 4ASJ N6A 0.0006565 0.40923 2.73038
35 1C0I BE2 0.00007876 0.45731 2.7439
36 1C0I FAD 0.00007876 0.45731 2.7439
37 4NTD FAD 0.00008188 0.4483 2.7439
38 3F3E LEU 0.0001655 0.43717 2.7439
39 2V6O FAD 0.004195 0.41742 2.7439
40 4NE2 SH2 0.0006508 0.41562 2.7439
41 1X54 4AD 0.0002169 0.41367 2.7439
42 1KY8 NAP 0.01111 0.40943 2.7439
43 3ICC NAP 0.001152 0.40386 2.7439
44 2Q1W NAD 0.001305 0.40217 2.7439
45 1RP0 AHZ 0.003406 0.41818 2.8169
46 2BNE U5P 0.001246 0.40477 2.90456
47 4OYA 1VE 0.003663 0.43001 3.04878
48 2NPX FAD 0.0004398 0.42356 3.04878
49 1GR0 NAD 0.003861 0.41871 3.04878
50 2R0N TGC 0.02615 0.40493 3.04878
51 3QVL 5HY 0.004055 0.40482 3.04878
52 3I28 34N 0.003938 0.40186 3.04878
53 4BJZ P3A 0.01093 0.40145 3.04878
54 4BJZ FAD 0.01093 0.40145 3.04878
55 4Q0P 0MK 0.01258 0.40835 3.07692
56 1A27 NAP 0.0005668 0.41059 3.11419
57 1UXG FUM 0.002498 0.40048 3.23625
58 1JA9 NDP 0.00866 0.40387 3.28467
59 2B82 ADN 0.0001585 0.40785 3.31754
60 1D6H COA 0.0003702 0.43292 3.35366
61 9LDT NAD 0.0003511 0.41852 3.35366
62 3FPZ AHZ 0.004611 0.41825 3.35366
63 3T31 DCQ 0.002182 0.41794 3.35366
64 3T31 FAD 0.001963 0.41794 3.35366
65 2GN4 NDP 0.03093 0.41103 3.35366
66 4HA6 FAD 0.0006097 0.42579 3.65854
67 3K37 BCZ 0.01272 0.40237 3.65854
68 1S8F GDP 0.00007896 0.4318 3.9548
69 1RYI FAD 0.0005531 0.42502 3.96341
70 2IXB NAD 0.0005351 0.41284 3.96341
71 1RYI GOA 0.001862 0.40983 3.96341
72 1JQI FAD 0.001327 0.40701 3.96341
73 4AT0 FAD 0.003043 0.40647 3.96341
74 2PP3 LGT 0.002055 0.4021 3.96341
75 2IXB A2G 0.002329 0.40146 3.96341
76 2GMM MAN MAN 0.04097 0.42219 3.96825
77 4TSK NDP 0.002575 0.41547 4
78 4QED NAP 0.00124 0.40008 4.03226
79 1GSA GSH 0.001784 0.40842 4.11392
80 1GSA ADP 0.004533 0.40068 4.11392
81 1M5B BN1 0.001017 0.42931 4.18251
82 2RGH FAD 0.002566 0.40224 4.20315
83 1NVV GNP 0.0001066 0.42601 4.21687
84 1NVU GTP 0.004849 0.40454 4.21687
85 2QTR NXX 0.0007384 0.40849 4.2328
86 1H82 GZZ 0.000993 0.43201 4.26829
87 1H82 FAD 0.001466 0.42386 4.26829
88 2VHJ ADP 0.00005764 0.41914 4.26829
89 2C9O ADP 0.0009842 0.406 4.26829
90 1V7R CIT 0.01177 0.44507 4.30108
91 1E7S NAP 0.001078 0.40476 4.36137
92 2PR5 FMN 0.0003862 0.43307 4.54545
93 3NKS FAD 0.0004154 0.42436 4.57317
94 4G87 UD1 0.0009113 0.42254 4.57317
95 1NZY BCA 0.0006766 0.40515 4.57317
96 3NKS ACJ 0.00005418 0.40355 4.57317
97 2AE2 PTO 0.0003196 0.43164 4.61538
98 2AE2 NAP 0.0003196 0.43164 4.61538
99 1BDB NAD 0.004532 0.41503 4.69314
100 4FR3 LYS ARG ARG LYS SEP VAL 0.008277 0.40516 4.70085
101 1DR1 HBI 0.001783 0.40407 4.7619
102 1DR1 NAP 0.001783 0.40407 4.7619
103 2YVF FAD 0.0004109 0.44527 4.87805
104 2NVK FAD 0.001036 0.41613 4.87805
105 2YVF NAD 0.004181 0.41109 4.87805
106 2NP9 YE1 0.001127 0.40416 4.87805
107 1VKO NAD 0.009383 0.40263 4.87805
108 4DEM YS4 0.01474 0.40107 4.87805
109 1SJD NPG 0.0008564 0.40212 4.8913
110 1EDO NAP 0.0008686 0.43911 4.91803
111 3ZV6 4HB 0.0005254 0.42684 4.98221
112 3ZV6 NAD 0.0004882 0.42679 4.98221
113 2X61 CH 0.001729 0.40673 5.03876
114 2X61 NGA GAL SIA 0.005615 0.40384 5.03876
115 3PVT 3HC 0.0004431 0.42346 5.14469
116 1E8G FCR 0.00884 0.41308 5.18293
117 1E8G FAD 0.009368 0.41308 5.18293
118 3RFV NAI 0.0005708 0.4074 5.24345
119 3RFV 15L 0.0005117 0.40721 5.24345
120 1TDF FAD 0.00006753 0.46064 5.37975
121 1TDF NAP 0.004103 0.41657 5.37975
122 4IZC 1GZ 0.002417 0.41114 5.45455
123 2VBQ BSJ 0.001429 0.40353 5.45455
124 1Z44 NPO 0.009649 0.4588 5.4878
125 1FIQ FAD 0.0001463 0.43479 5.4878
126 2WA4 069 0.001855 0.42653 5.4878
127 1I2B UPG 0.004444 0.40583 5.4878
128 1I2B NAD 0.004444 0.40583 5.4878
129 1I2B USQ 0.004444 0.40583 5.4878
130 1FIQ MTE 0.00113 0.40133 5.4878
131 1MXI SAH 0.0009892 0.41879 5.625
132 4EKV BTN 0.0006085 0.4139 5.66038
133 4KWI 1TJ 0.001347 0.4124 5.70342
134 4KWI NAP 0.001249 0.4124 5.70342
135 1VDC FAD 0.0005083 0.43245 5.79268
136 4FWE FAD 0.001538 0.41257 5.79268
137 4MP8 NAD 0.001921 0.40303 5.79268
138 4MP8 MLI 0.001921 0.40303 5.79268
139 2ORV 4TA 0.0005363 0.40218 5.79268
140 3DER ALA LYS 0.0002362 0.40169 5.7971
141 3E8N ATP 0.001674 0.41035 5.8651
142 3E8N VRA 0.001674 0.41035 5.8651
143 3OND NAD 0.0002451 0.44303 6.09756
144 3OND ADN 0.0002451 0.44303 6.09756
145 3GE7 AFQ 0.0007192 0.41162 6.09756
146 1CSI CMX 0.002462 0.40176 6.09756
147 1CSI OAA 0.002462 0.40176 6.09756
148 1FL2 FAD 0.0008833 0.41729 6.12903
149 1SJW NGV 0.003298 0.40821 6.25
150 2Q2V NAD 0.0007385 0.41126 6.27451
151 4DEC UDP 0.0007237 0.40265 6.39535
152 4DEC 3PG 0.0007237 0.40265 6.39535
153 4C0C WVH 0.00381 0.40052 6.40244
154 2XVE FAD 0.002681 0.4178 6.46552
155 2RH4 EMO 0.001277 0.4172 6.4982
156 1LTH NAD 0.006516 0.40303 6.58307
157 2Q1S NAI 0.0003259 0.43474 6.70732
158 4IVG ANP 0.002468 0.41126 6.70732
159 1G0N PHH 0.000371 0.43068 6.71378
160 1XHL NDP 0.001141 0.40399 6.73401
161 4O1M NAD 0.000154 0.42807 6.98413
162 1QF5 RPL 0.001269 0.41917 7.0122
163 1QF5 GDP 0.001269 0.41917 7.0122
164 1SAY PYR 0.02425 0.40516 7.0122
165 2BTO GTP 0.001918 0.40418 7.0122
166 1DAK DPU 0.001551 0.40935 7.14286
167 1DAK ADP 0.001551 0.40935 7.14286
168 3MPI GRA 0.005672 0.40145 7.31707
169 2QXX TTP 0.0009811 0.4118 7.36842
170 1NYT NAP 0.0007345 0.40079 7.62195
171 3U4C NDP 0.0009211 0.40259 8.18505
172 2B4Q NAP 0.000177 0.4262 8.23171
173 1G8S MET 0.003216 0.44408 8.26087
174 1Q0H NDP 0.0006488 0.42891 8.37438
175 1Q0H FOM 0.0006817 0.42624 8.37438
176 2EWM NAD 0.0006042 0.4112 8.43373
177 3S9K CIT 0.0001815 0.57612 8.47458
178 2C7G FAD 0.001326 0.42456 8.53659
179 1YBH FAD 0.0004993 0.42419 8.53659
180 1I0Z NAI 0.0002423 0.42198 8.53659
181 2C7G ODP 0.002565 0.41398 8.53659
182 1LDM NAD 0.00488 0.41011 8.53659
183 1PR9 NAP 0.0003942 0.41983 8.60656
184 3D3W NAP 0.0005377 0.41277 8.60656
185 2NCD ADP 0.0005586 0.47155 8.84146
186 1R6D NAD 0.0009989 0.4271 8.84146
187 1R6D DAU 0.002544 0.41249 8.84146
188 1ZK7 FAD 0.003866 0.40123 8.84146
189 2GDZ NAD 0.0004502 0.41367 8.98876
190 3TA2 AKG 0.001009 0.40138 9.14634
191 3SHR CMP 0.001797 0.43205 9.36455
192 2F2U M77 0.002046 0.42979 9.45122
193 1OLS TDP 0.002935 0.40427 9.75
194 2GSD NAD 0.0004788 0.41985 9.7561
195 3LZW NAP 0.00258 0.41619 9.7561
196 3LZW FAD 0.001179 0.41099 9.7561
197 1LVL FAD 0.002018 0.40868 9.7561
198 1TU3 GNP 0.0005859 0.40374 9.94152
199 1NNU NAD 0.005504 0.41656 10
200 1NNU TCT 0.006057 0.41506 10
201 1FS5 TLA 0.0009289 0.40016 10.1504
202 4KQI RBZ 0.0001381 0.43111 10.3659
203 4KQI NIO 0.0001381 0.43111 10.3659
204 4A3R CIT 0.0007055 0.4145 10.3659
205 1PEA ACM 0.01226 0.42942 10.6707
206 2RHQ GAX 0.001514 0.40118 10.9756
207 2D2I NAP 0.0006278 0.40004 10.9756
208 2YHW BM3 0.00013 0.43034 11.2805
209 3WSJ MK1 0.0000527 0.46532 12.069
210 3HAZ NAD 0.001085 0.40188 12.1951
211 3HAZ FAD 0.001272 0.40115 12.1951
212 2RHW C0E 0.00699 0.40333 12.7208
213 3JYN NDP 0.001037 0.40662 12.9231
214 3FC4 EDO 0.0001676 0.45344 13.4146
215 3UC5 ATP 0.005366 0.40524 15.2866
216 3A2Y TS5 0.002235 0.41033 16.2437
217 4GQB 0XU 0.003082 0.40967 22.7273
218 3ZZS TRP 0.001884 0.40095 24.6154
219 4GYW UDP 0.001097 0.40452 50
Pocket No.: 4; Query (leader) PDB : 2GJN; Ligand: NIS; Similar sites found: 173
This union binding pocket(no: 4) in the query (biounit: 2gjn.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OAA OAA 0.0005807 0.41994 1.5444
2 1KGQ NPI 0.006147 0.40667 1.82482
3 1Q3Q ANP 0.0003204 0.43961 1.82927
4 4DQ2 BTX 0.0004863 0.40446 1.82927
5 1SOW NAD 0.0008266 0.40203 1.82927
6 3IAE D7K 0.0007693 0.40156 1.82927
7 3RO7 TDR 0.002859 0.42697 1.88679
8 3M0J OAF 0.0004794 0.40766 1.9544
9 3WE0 FAD 0.0002885 0.42952 2.13415
10 4CKU P2F 0.001158 0.41437 2.13415
11 4W6Z 8ID 0.0007464 0.40859 2.13415
12 2XVF FAD 0.0009101 0.40716 2.13415
13 1B63 ANP 0.0001205 0.40593 2.13415
14 1UDB UFG 0.002652 0.40542 2.13415
15 1UDB NAD 0.002652 0.40542 2.13415
16 1R37 NAD 0.0007967 0.40519 2.13415
17 1SB8 UD2 0.003967 0.40056 2.13415
18 1SB8 NAD 0.003125 0.40056 2.13415
19 1T26 NAI 0.01146 0.40509 2.17391
20 1T26 GBD 0.01146 0.40509 2.17391
21 4CS4 AXZ 0.000726 0.41688 2.18978
22 4CS4 ANP 0.0006064 0.41257 2.18978
23 2DTX BMA 0.0001909 0.43049 2.27273
24 3Q9T FAY 0.000238 0.42629 2.43902
25 2AQJ TRP 0.002007 0.41415 2.43902
26 2AQJ FAD 0.002114 0.41415 2.43902
27 1RM0 D6P 0.001832 0.40889 2.43902
28 2J07 HDF 0.002147 0.40667 2.43902
29 2J07 FAD 0.002147 0.40667 2.43902
30 1KOL NAD 0.001284 0.40139 2.43902
31 1HDR NAD 0.003364 0.40039 2.45902
32 1K27 MTM 0.000937 0.40041 2.4735
33 4CMF PXG 0.001526 0.41233 2.48447
34 1SS4 GSH 0.001665 0.51124 2.61438
35 1SS4 CIT 0.001994 0.47837 2.61438
36 3DGB MUC 0.007044 0.40319 2.6178
37 4ASJ N6A 0.0007206 0.41122 2.73038
38 1C0I BE2 0.00007553 0.45015 2.7439
39 1C0I FAD 0.00007553 0.45015 2.7439
40 4NTD FAD 0.00008976 0.43934 2.7439
41 2V6O FAD 0.002755 0.41832 2.7439
42 1F8F NAD 0.003229 0.40505 2.7439
43 3ICC NAP 0.0006666 0.40482 2.7439
44 2Q1W NAD 0.0007503 0.40329 2.7439
45 1KY8 NAP 0.01237 0.40301 2.7439
46 1X54 4AD 0.0002703 0.40218 2.7439
47 1GEE NAD 0.0002023 0.40196 2.7439
48 1RP0 AHZ 0.006563 0.40304 2.8169
49 3ZS7 ATP 0.0001362 0.40392 3
50 1GR0 NAD 0.001096 0.43202 3.04878
51 4OYA 1VE 0.002536 0.43027 3.04878
52 2NPX NAD 0.003988 0.40429 3.04878
53 2NPX FAD 0.001129 0.40429 3.04878
54 1U7Z PMT 0.0008782 0.4026 3.09735
55 1A27 NAP 0.0006823 0.40165 3.11419
56 2PT9 2MH 0.0006743 0.40738 3.11526
57 1JA9 NDP 0.001647 0.42339 3.28467
58 1D6H COA 0.0001753 0.43634 3.35366
59 3K7M FAD 0.000958 0.42148 3.35366
60 3FPZ AHZ 0.003522 0.41699 3.35366
61 2GN4 UD1 0.02041 0.41504 3.35366
62 3T31 FAD 0.001875 0.41278 3.35366
63 9LDB NAD 0.000352 0.41164 3.35366
64 9LDT NAD 0.0004131 0.40958 3.35366
65 3T31 DCQ 0.003274 0.40638 3.35366
66 2GN4 NDP 0.03205 0.40628 3.35366
67 2VAR ANP 0.00006528 0.40738 3.51438
68 4HA6 FAD 0.0001438 0.43904 3.65854
69 2WUF KEM 0.0002361 0.40096 3.78007
70 1S8F GDP 0.0001104 0.41921 3.9548
71 1RYI FAD 0.0004703 0.42283 3.96341
72 1JQI FAD 0.0008518 0.40683 3.96341
73 1RYI GOA 0.001661 0.40555 3.96341
74 2YPO PHE 0.0006338 0.4026 3.96341
75 4TSK NDP 0.003475 0.40553 4
76 1GSA ADP 0.0001245 0.40622 4.11392
77 1M5B BN1 0.0008342 0.42594 4.18251
78 2RGH FAD 0.001284 0.40594 4.20315
79 1NVU GTP 0.004403 0.40064 4.21687
80 1NVV GNP 0.00447 0.40042 4.21687
81 1H82 FAD 0.0006783 0.42889 4.26829
82 1H82 GZZ 0.0008009 0.42889 4.26829
83 1CX9 NHP 0.001621 0.42863 4.26829
84 4PNI KQQ 0.0008972 0.40473 4.26829
85 2C9O ADP 0.006767 0.40258 4.26829
86 4L1F FAD 0.001033 0.40179 4.26829
87 4PLG NAI 0.001446 0.40099 4.26829
88 4PLG OXM 0.001446 0.40099 4.26829
89 4MWV BCZ 0.001446 0.40099 4.26829
90 1V7R CIT 0.01324 0.44507 4.30108
91 1E7S NAP 0.0007486 0.40332 4.36137
92 2PR5 FMN 0.0003302 0.43886 4.54545
93 4G87 UD1 0.001646 0.40809 4.57317
94 2AE2 PTO 0.000272 0.42692 4.61538
95 2AE2 NAP 0.000272 0.42692 4.61538
96 1VQ2 DDN 0.002745 0.41183 4.66321
97 1BDB NAD 0.001628 0.42487 4.69314
98 4FR3 LYS ARG ARG LYS SEP VAL 0.004823 0.40819 4.70085
99 4FR3 0V4 0.007116 0.40244 4.70085
100 2NVK FAD 0.0008903 0.41199 4.87805
101 4DEM YS4 0.00769 0.40632 4.87805
102 2X61 CH 0.001327 0.40441 5.03876
103 3PVT 3HC 0.0003934 0.41834 5.14469
104 1E8G FCR 0.008654 0.4085 5.18293
105 1E8G FAD 0.009193 0.4085 5.18293
106 1TDF NAP 0.002093 0.42115 5.37975
107 1TDF FAD 0.001109 0.41404 5.37975
108 4IZC 1GZ 0.002385 0.40563 5.45455
109 1I2B NAD 0.0005922 0.42915 5.4878
110 1I2B USQ 0.0005922 0.42915 5.4878
111 1I2B UPG 0.0005922 0.42915 5.4878
112 2WA4 069 0.002223 0.42653 5.4878
113 1Z44 NPO 0.04018 0.42616 5.4878
114 1FIQ FAD 0.0001668 0.4257 5.4878
115 1MXI SAH 0.0005965 0.42978 5.625
116 4EKV BTN 0.0003245 0.41559 5.66038
117 4FWE FAD 0.0002938 0.42927 5.79268
118 1VDC FAD 0.0007599 0.42023 5.79268
119 3UXL CFI 0.009799 0.40564 5.79268
120 3E8N VRA 0.002239 0.40047 5.8651
121 3E8N ATP 0.002239 0.40047 5.8651
122 2XD9 XD9 0.01268 0.41574 5.98802
123 3OND NAD 0.0002881 0.43372 6.09756
124 3OND ADN 0.0002881 0.43372 6.09756
125 1FL2 FAD 0.001091 0.40814 6.12903
126 1SJW NGV 0.003534 0.41008 6.25
127 2Q2V NAD 0.0003894 0.41321 6.27451
128 3AXB FAD 0.0001643 0.42997 6.40244
129 2XVE FAD 0.002378 0.41391 6.46552
130 2RH4 EMO 0.002308 0.40295 6.4982
131 2Q1S NAI 0.0003128 0.42841 6.70732
132 4IVG ANP 0.0006649 0.42397 6.70732
133 1G0N PHH 0.001669 0.40346 6.71378
134 4O1M NAD 0.0002275 0.41573 6.98413
135 1QF5 RPL 0.002324 0.40468 7.0122
136 1QF5 GDP 0.002324 0.40468 7.0122
137 3MPI GRA 0.003274 0.40407 7.31707
138 2B4Q NAP 0.0001648 0.41985 8.23171
139 1G8S MET 0.0004304 0.48745 8.26087
140 1Q0H FOM 0.0005588 0.42253 8.37438
141 2EWM NAD 0.00036 0.41135 8.43373
142 3S9K CIT 0.00007917 0.59324 8.47458
143 2C7G FAD 0.0001881 0.44634 8.53659
144 2C7G ODP 0.001164 0.41955 8.53659
145 1I0Z NAI 0.0003544 0.41005 8.53659
146 1LDM NAD 0.004569 0.4058 8.53659
147 1YBH FAD 0.01171 0.40195 8.53659
148 3D3W NAP 0.0005468 0.40596 8.60656
149 2NCD ADP 0.0006629 0.47155 8.84146
150 1TV5 ORO 0.0005209 0.43871 8.84146
151 1ZK7 FAD 0.0005888 0.42181 8.84146
152 1R6D NAD 0.00331 0.40391 8.84146
153 2GDZ NAD 0.0004259 0.40769 8.98876
154 3SHR CMP 0.007068 0.41096 9.36455
155 2F2U M77 0.000786 0.44975 9.45122
156 3LZW FAD 0.0001346 0.43392 9.7561
157 2GSD NAD 0.0002652 0.42098 9.7561
158 1LVL FAD 0.0005827 0.41989 9.7561
159 3LZW NAP 0.002634 0.41025 9.7561
160 1NNU NAD 0.009414 0.40326 10
161 1NNU TCT 0.0113 0.40051 10
162 3IU9 T07 0.0009596 0.42473 10.0694
163 4A3R CIT 0.0008239 0.40603 10.3659
164 4KQI NIO 0.0005451 0.406 10.3659
165 4KQI RBZ 0.0005451 0.406 10.3659
166 2RHQ GAX 0.0001193 0.44049 10.9756
167 2YHW BM3 0.0001538 0.42074 11.2805
168 3WSJ MK1 0.000634 0.42275 12.069
169 2YC5 6BC 0.001293 0.40009 12.5
170 2RHW C0E 0.006118 0.40022 12.7208
171 3FC4 EDO 0.0002198 0.44231 13.4146
172 3A2Y TS5 0.002139 0.41409 16.2437
173 4GQB 0XU 0.003101 0.40404 22.7273
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