Receptor
PDB id Resolution Class Description Source Keywords
3W54 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CYANIDE-INSENSITIVE ALTERNATIVE OXIDASE TRYPANOSOMA BRUCEI WITH COLLETOCHLORIN B TRYPANOSOMA BRUCEI BRUCEI MEMBRANE BOUND DIIRON PROTEIN OXIDASE MEMBRANE OXIDOREDUCOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX ALTERNATIVOXIDASE OXIDOREDUCTASE-OXIDO COMPLEX
Ref.: STRUCTURE OF THE TRYPANOSOME CYANIDE-INSENSITIVE AL OXIDASE PROC.NATL.ACAD.SCI.USA V. 110 4580 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OH B:503;
A:503;
D:503;
C:503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
17.007 H O [OH-]
FE A:501;
A:502;
D:502;
B:501;
B:502;
C:502;
C:501;
D:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
SO4 D:505;
A:505;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
RNB B:504;
D:504;
C:504;
A:504;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 0.2 nM
322.826 C18 H23 Cl O3 Cc1c(...
GOL D:506;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W54 2.3 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF CYANIDE-INSENSITIVE ALTERNATIVE OXIDASE TRYPANOSOMA BRUCEI WITH COLLETOCHLORIN B TRYPANOSOMA BRUCEI BRUCEI MEMBRANE BOUND DIIRON PROTEIN OXIDASE MEMBRANE OXIDOREDUCOXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX ALTERNATIVOXIDASE OXIDOREDUCTASE-OXIDO COMPLEX
Ref.: STRUCTURE OF THE TRYPANOSOME CYANIDE-INSENSITIVE AL OXIDASE PROC.NATL.ACAD.SCI.USA V. 110 4580 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3W54 Ki = 0.2 nM RNB C18 H23 Cl O3 Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3W54 Ki = 0.2 nM RNB C18 H23 Cl O3 Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3W54 Ki = 0.2 nM RNB C18 H23 Cl O3 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RNB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RNB 1 1
2 UQ6 0.408451 0.711111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W54; Ligand: RNB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3w54.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3W54; Ligand: RNB; Similar sites found: 134
This union binding pocket(no: 2) in the query (biounit: 3w54.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XMY CDK 0.0273 0.41597 1.34228
2 5A07 GDP 0.01306 0.40437 1.51976
3 4XSU UDP 0.01289 0.4016 1.51976
4 4XSU GLC 0.01295 0.40151 1.51976
5 2I0G I0G 0.02474 0.41066 1.55642
6 1YOK P6L 0.006107 0.428 1.5625
7 1YUC EPH 0.00407 0.42281 1.56863
8 4MKF AP5 0.02146 0.40423 1.84332
9 5B4B LP5 0.01312 0.40531 2.01613
10 4OPC PGT 0.01739 0.44363 2.12766
11 3QCP FAD 0.004774 0.42123 2.12766
12 1EWF PC1 0.01506 0.41352 2.12766
13 5UC9 MYR 0.009378 0.4157 2.21239
14 5LX9 OLB 0.001446 0.44039 2.28013
15 4UY1 TJM 0.01071 0.40852 2.29008
16 4NU0 AP5 0.02002 0.40664 2.30415
17 4ORM ORO 0.02524 0.4183 2.43161
18 4ORM 2V6 0.02524 0.4183 2.43161
19 4ORM FMN 0.02524 0.4183 2.43161
20 4XNV BUR 0.01383 0.4145 2.43161
21 5IR4 ZPE 0.01809 0.41155 2.43161
22 1H82 GZZ 0.03656 0.40894 2.43161
23 1H82 FAD 0.03356 0.40894 2.43161
24 2P1C GG3 0.01197 0.40715 2.43161
25 2E2R 2OH 0.00398 0.43559 2.45902
26 2A1L PCW 0.00824 0.42892 2.59259
27 5K52 OCD 0.001013 0.44457 2.64151
28 3E2M E2M 0.03042 0.40908 2.7027
29 1ZIN AP5 0.0264 0.40088 2.76498
30 3G5D 1N1 0.03417 0.40587 2.7972
31 1M13 HYF 0.004032 0.43161 2.8481
32 5AZC PGT 0.04978 0.41007 3
33 3OKI OKI 0.02406 0.40376 3.00429
34 4C2X NHW 0.02401 0.4038 3.03951
35 3O9Z NAD 0.02876 0.40512 3.20513
36 3O9Z AKG 0.03395 0.40078 3.20513
37 4CDN FAD 0.005146 0.42267 3.34347
38 1MO9 KPC 0.0394 0.41634 3.34347
39 1MO9 FAD 0.03897 0.41611 3.34347
40 3T58 FAD 0.01182 0.40741 3.34347
41 4IGH FMN 0.04761 0.40485 3.34347
42 4IGH ORO 0.04761 0.40485 3.34347
43 4IGH 1EA 0.04761 0.40485 3.34347
44 5EW0 3C7 0.02357 0.40005 3.4188
45 5HCN DAO 0.009177 0.42088 3.44828
46 4OMJ 2TX 0.01887 0.40044 3.59712
47 3PF7 MLA 0.001928 0.45034 3.64742
48 3LDW ZOL 0.0134 0.40738 3.64742
49 2H7C COA 0.03791 0.40627 3.64742
50 5TWO 7MV 0.001506 0.41695 3.67647
51 3G9E RO7 0.008465 0.41905 3.69004
52 2PRG BRL 0.004642 0.40944 3.69004
53 5HGZ ACO 0.01227 0.40111 3.7037
54 1P0H ACO 0.03789 0.40935 3.77358
55 1UKZ ADP 0.01192 0.41094 3.94089
56 1UKZ AMP 0.005545 0.40994 3.94089
57 1YMT DR9 0.005247 0.42228 4.06504
58 1H9G COA MYR 0.009507 0.40906 4.11523
59 4QWT ACD 0.01236 0.40244 4.25532
60 4BNU 9KQ 0.008255 0.40575 4.46097
61 1GHQ NDG 0.01974 0.43579 4.47761
62 4X8D AVI 0.03344 0.4007 4.55927
63 5IKR ID8 0.004164 0.42369 4.86322
64 5V4R MGT 0.005492 0.44911 4.93827
65 4UCC ZKW 0.004978 0.44593 5.15021
66 2Q2Y ADP 0.01402 0.43701 5.16717
67 2Q2Y MKR 0.01402 0.43701 5.16717
68 3V49 PK0 0.0105 0.40419 5.26316
69 4U0I 0LI 0.01463 0.40438 5.39683
70 2AX9 BHM 0.009657 0.42276 5.46875
71 3VRV YSD 0.008604 0.43154 5.53506
72 5V3Y 5V8 0.001388 0.40987 5.59441
73 4C2Z MYA 0.01303 0.41556 6.07903
74 1QF9 C5P 0.01314 0.4123 6.18557
75 1XVB BHL 0.01746 0.40948 6.38298
76 3HKW IX6 0.04785 0.40799 6.38298
77 3PVT 3HC 0.02154 0.40415 6.43087
78 3QKD HI0 0.009345 0.40648 6.62983
79 2YNC YNC 0.01218 0.41386 6.68693
80 4RW3 PLM 0.03638 0.40011 6.68693
81 1HN4 MJI 0.03614 0.41097 6.87023
82 3F3E LEU 0.01455 0.41227 6.99088
83 3MBG FAD 0.007261 0.41295 7.19424
84 2W90 6PG 0.01184 0.40183 7.29483
85 1GHE ACO 0.01188 0.40024 7.34463
86 5LWY OLB 0.001343 0.44185 7.47664
87 3WYJ H78 0.03287 0.41249 7.50988
88 3SQP 3J8 0.008909 0.42624 7.59878
89 3LLI FAD 0.00891 0.41035 7.66284
90 5JDA SIN 0.01353 0.4159 7.90274
91 3D72 FAD 0.0086 0.41508 8.05369
92 3HUJ AGH 0.02675 0.40666 8.08081
93 5L2J 6UL 0.009916 0.43876 8.16327
94 5L2J 70E 0.01051 0.43876 8.16327
95 1FBY REA 0.009768 0.40407 8.3682
96 1FM9 570 0.006038 0.42219 8.40336
97 1DKF BMS 0.003357 0.42323 8.58369
98 4POJ 2VP 0.009967 0.40368 8.65801
99 3O55 FAD 0.01205 0.40294 8.8
100 4MNS 2AX 0.01326 0.42237 8.80503
101 3EE4 MYR 0.006884 0.40757 8.81459
102 3ZLR X0B 0.01505 0.41056 8.86076
103 5ECP JAA 0.01722 0.40978 8.96861
104 5ECP ATP 0.01803 0.40978 8.96861
105 5ECP MET 0.01722 0.40978 8.96861
106 4RC8 STE 0.0001416 0.48463 9.00901
107 4HIA FMN 0.01224 0.41267 9.09091
108 5OCA 9QZ 0.007973 0.44486 9.67742
109 4ZOM 4Q3 0.01522 0.43355 9.77778
110 3WV1 WHH 0.03456 0.40041 9.94152
111 4WQ2 3SU 0.001523 0.43056 10.4046
112 4YV5 SVR 0.02122 0.44166 10.6557
113 3SHZ 5CO 0.01226 0.4057 10.9422
114 4WO4 JLS 0.009678 0.42271 11.1111
115 1K7L 544 0.004913 0.42066 11.8056
116 3SP6 IL2 0.003138 0.41892 11.9298
117 3KDU NKS 0.004104 0.44718 12.2744
118 2NPA MMB 0.001764 0.43386 12.5926
119 3FEI CTM 0.004597 0.4188 12.7341
120 2P54 735 0.00741 0.41255 12.7341
121 2A06 SMA 0.02249 0.4002 14.5161
122 3RET SAL 0.00344 0.42319 14.8515
123 3RET PYR 0.00344 0.40621 14.8515
124 3RUG DB6 0.01131 0.42491 15.1515
125 3QUZ QUV 0.01841 0.41775 15.1515
126 3G08 FEE 0.02353 0.41393 15.1515
127 3CXH SMA 0.004937 0.42206 15.1786
128 1SR7 MOF 0.005807 0.42425 16.9884
129 4OAR 2S0 0.003798 0.41721 17.0543
130 3WHB DCC 0.005906 0.42755 17.5258
131 2QZO KN1 0.005929 0.40677 20.5426
132 2BJ4 OHT 0.003423 0.41921 21.0317
133 2QE4 JJ3 0.01429 0.42316 27.0161
134 5AAV GW5 0.003455 0.45584 27.7778
Pocket No.: 3; Query (leader) PDB : 3W54; Ligand: RNB; Similar sites found: 580
This union binding pocket(no: 3) in the query (biounit: 3w54.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TA2 AKG 0.0005221 0.44766 None
2 1NU4 MLA 0.009828 0.44244 None
3 4JHG ZEA 0.0007468 0.41041 None
4 2QZT PLM 0.01958 0.40252 None
5 1HG4 LPP 0.004671 0.43096 1.07527
6 2ZWS PLM 0.00641 0.45248 1.21581
7 2PTZ PAH 0.0007663 0.42039 1.21581
8 3EWC MCF 0.008117 0.41656 1.21581
9 1Y42 TYR 0.003019 0.41625 1.21581
10 2HW1 ANP 0.00151 0.4182 1.34228
11 3OND ADN 0.002002 0.44548 1.51976
12 3OND NAD 0.002002 0.44548 1.51976
13 2PUL ACP 0.0001823 0.44278 1.51976
14 2G36 TRP 0.00005262 0.423 1.51976
15 1P72 ADP 0.003196 0.42003 1.51976
16 4R33 SAH 0.004573 0.41646 1.51976
17 4R33 TRP 0.004573 0.41646 1.51976
18 1RYD NDP 0.01023 0.40704 1.51976
19 3K3G MMU 0.006572 0.40514 1.51976
20 1Z83 AP5 0.01732 0.40998 1.53061
21 3RK0 AMP 0.001392 0.41351 1.68776
22 1M1B SPV 0.00007742 0.42014 1.69492
23 3B1F NAD 0.001611 0.41903 1.72414
24 2BOI MFU 0.002025 0.42327 1.76991
25 4PPU TYR 0.007292 0.40072 1.79856
26 2BO4 FLC 0.00005504 0.51349 1.82371
27 1Q3Q ANP 0.004729 0.43639 1.82371
28 1ZED PNP 0.0031 0.43447 1.82371
29 2YVF FAD 0.009908 0.42485 1.82371
30 2YVF NAD 0.01027 0.42485 1.82371
31 3PLN U5P 0.001899 0.4244 1.82371
32 4GBD MCF 0.01234 0.40321 1.82371
33 3P0K FAD 0.01419 0.402 1.8797
34 1NW5 SAM 0.0008376 0.42566 1.88088
35 1XHL NDP 0.004755 0.41457 2.0202
36 4Q9M FPP 0.02687 0.40063 2.03252
37 2YBQ UP2 0.000743 0.45134 2.05479
38 2YBQ SAH 0.003747 0.40173 2.05479
39 3DX5 DHB 0.003059 0.40565 2.0979
40 4OYA 1VE 0.0001553 0.52247 2.12766
41 2Q8H TF4 0.000376 0.49495 2.12766
42 1KBJ FMN 0.0002759 0.45326 2.12766
43 1Q11 TYE 0.0006122 0.4443 2.12766
44 1YAG ATP 0.0008508 0.43121 2.12766
45 1WVG CXY 0.0007912 0.43054 2.12766
46 2H6T IVA VAL VAL STA ALA STA 0.0005551 0.4278 2.12766
47 1WVG APR 0.002128 0.41959 2.12766
48 1WL4 COA 0.007468 0.41837 2.12766
49 3K37 BCZ 0.02698 0.41355 2.12766
50 2CKM AA7 0.009095 0.41304 2.12766
51 2Z7I 742 0.04937 0.41085 2.12766
52 3TFC PEP 0.004495 0.40924 2.12766
53 2Q97 ATP 0.002984 0.40904 2.12766
54 1GAD NAD 0.005088 0.4067 2.12766
55 4DO1 ANN 0.0451 0.40445 2.12766
56 1EYE PMM 0.0005845 0.42734 2.14286
57 2WCV FUC 0.0004027 0.41235 2.14286
58 3FPZ AHZ 0.0181 0.42222 2.14724
59 1F1V DHY 0.0006065 0.43817 2.16718
60 1XIU REA 0.01104 0.40003 2.17391
61 1O68 KIV 0.0005236 0.44705 2.18182
62 1LTH NAD 0.01294 0.41504 2.19436
63 2B7N NTM 0.002071 0.42888 2.1978
64 1UWZ THU 0.00007894 0.45584 2.20588
65 1T8U UAP SGN IDS SGN 0.003802 0.42533 2.20588
66 3RO7 TDR 0.003094 0.41643 2.26415
67 2P69 PLP 0.006018 0.40943 2.28758
68 1OGD RIP 0.0001495 0.46908 2.29008
69 2C1Q BTN 0.004517 0.42337 2.38095
70 3BHO B4P 0.01542 0.4233 2.40385
71 2C31 ADP 0.001359 0.46781 2.43161
72 2C31 TZD 0.001407 0.46781 2.43161
73 1H2B NAJ 0.0004695 0.4553 2.43161
74 4AQL TXC 0.0001125 0.4529 2.43161
75 1XVV CCQ 0.001789 0.43956 2.43161
76 4KXV TDP DX5 0.001916 0.43726 2.43161
77 3A1I UNU 0.0005941 0.43263 2.43161
78 4UAL 3FV 0.0002004 0.42467 2.43161
79 1A59 CIT 0.006611 0.4196 2.43161
80 3AHC TPP 0.003421 0.41755 2.43161
81 2IMP NAI 0.0232 0.41745 2.43161
82 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.006833 0.41711 2.43161
83 2XXP DSL 0.04011 0.41623 2.43161
84 2I4O ATP 0.0003934 0.41532 2.43161
85 4IOK ADP 0.003047 0.41521 2.43161
86 4HA6 FAD 0.008981 0.4151 2.43161
87 4NES UDP 0.001316 0.41423 2.43161
88 1LCP PLU 0.003234 0.41269 2.43161
89 3O2K DST 0.003736 0.4125 2.43161
90 2IMP LAC 0.001993 0.41182 2.43161
91 3D9F FAD 0.0377 0.40898 2.43161
92 4DSG UDP 0.04877 0.40828 2.43161
93 4NES UD1 0.00228 0.40767 2.43161
94 4DXJ IPE 0.02389 0.40199 2.43161
95 4DXJ 0M9 0.02133 0.40199 2.43161
96 3GDN FAD 0.04062 0.40121 2.43161
97 2VQ5 HBA 0.0006603 0.4648 2.48756
98 2VQ5 LDP 0.002052 0.45882 2.48756
99 3GTD MLI 0.003195 0.42098 2.48963
100 1A69 FMB 0.0156 0.41708 2.52101
101 2PNZ UDP 0.00217 0.41927 2.52708
102 3S9K CIT 0.00008703 0.56362 2.54237
103 4C0C WVH 0.007235 0.41983 2.56959
104 1T27 PCW 0.03716 0.40234 2.58303
105 1RKD RIB 0.0008613 0.4436 2.589
106 1RKD ADP 0.0008613 0.4436 2.589
107 1UXG NAD 0.001887 0.43752 2.589
108 1UXG FUM 0.001887 0.43752 2.589
109 1NZY BCA 0.001346 0.4303 2.60223
110 4JLV ADP 0.02029 0.42111 2.60223
111 1Y9Q MED 0.002395 0.43261 2.60417
112 2HGZ PBF 0.005459 0.40251 2.61438
113 1UF5 CDT 0.001249 0.4204 2.64026
114 1L1Q 9DA 0.0006194 0.43048 2.68817
115 2EV1 OLA 0.007802 0.41419 2.7027
116 3LZW FAD 0.0001831 0.47811 2.73556
117 3LZW NAP 0.0005068 0.47811 2.73556
118 2EFJ SAH 0.0001033 0.45425 2.73556
119 4WBD CIT 0.001943 0.4514 2.73556
120 1RZM E4P 0.001452 0.44936 2.73556
121 3L6R MLI 0.001523 0.44842 2.73556
122 4WBD ADP 0.002324 0.44013 2.73556
123 3GWT 066 0.001463 0.43325 2.73556
124 1UOU CMU 0.0003236 0.43125 2.73556
125 2C5S AMP 0.001021 0.42932 2.73556
126 4LHM AZZ 0.002031 0.42922 2.73556
127 2YIV NBN 0.004114 0.42892 2.73556
128 3BRE C2E 0.003038 0.42811 2.73556
129 2TPL HPP 0.001304 0.42767 2.73556
130 3ZPG 5GP 0.0107 0.42359 2.73556
131 4N02 FNR 0.01062 0.41865 2.73556
132 3QV9 QV7 0.003711 0.41825 2.73556
133 4TSK NDP 0.01614 0.41382 2.73556
134 2C78 PUL 0.03373 0.41355 2.73556
135 3QO8 SSA 0.001259 0.41265 2.73556
136 4IHQ ADP 0.003132 0.41026 2.73556
137 1RZM PEP 0.006194 0.4036 2.73556
138 1Q6O LG6 0.0009081 0.40854 2.77778
139 3QDT A2G GAL 0.0001676 0.50139 2.7972
140 3QDY A2G GAL 0.0003019 0.48939 2.7972
141 3QDY CBS 0.002258 0.4407 2.7972
142 3P7I P7I 0.0007395 0.44098 2.80374
143 1E7S NAP 0.006829 0.40841 2.80374
144 2HFK E4H 0.003034 0.41616 2.82132
145 1VR0 3SL 0.0002655 0.41538 2.83401
146 4HZD COA 0.002743 0.42762 2.83688
147 4N7C AEF 0.006819 0.41899 2.84091
148 1TDF NAP 0.003199 0.45172 2.8481
149 1TDF FAD 0.006446 0.42364 2.8481
150 1NRL SRL 0.004506 0.42177 2.8481
151 3HZS M0E 0.009575 0.41213 2.87081
152 3FS8 ACO 0.0352 0.41132 2.9304
153 3MAG 3MA 0.004328 0.45171 2.9316
154 3M0J OAF 0.004977 0.41253 2.9316
155 2J7T 274 0.001516 0.42982 2.98013
156 2FP2 TSA 0.01084 0.40229 3.01205
157 3SCH TB6 0.001773 0.43828 3.0303
158 2PR5 FMN 0.0001339 0.42234 3.0303
159 1ZZ7 S0H 0.002506 0.41953 3.0303
160 1LDM NAD 0.004793 0.44032 3.03951
161 1P9B IMO 0.0007402 0.43527 3.03951
162 4KQI RBZ 0.002442 0.42458 3.03951
163 4KQI NIO 0.002442 0.42458 3.03951
164 4RJK PYR 0.01299 0.41255 3.03951
165 8CAT NDP 0.002312 0.41135 3.03951
166 1G6O ADP 0.003892 0.40964 3.03951
167 1FP1 HCC 0.002233 0.408 3.03951
168 2QA1 FAD 0.009151 0.40685 3.03951
169 2Z9V PXM 0.005389 0.40605 3.03951
170 3BK2 U5P 0.002681 0.40305 3.03951
171 2WM1 13P 0.0004533 0.4013 3.03951
172 2QIA U20 0.01095 0.41846 3.05344
173 3VHZ SOG 0.03594 0.40148 3.05344
174 2YC5 6BC 0.0004835 0.45747 3.07018
175 4B8V NDG NAG NAG NAG 0.003243 0.41417 3.07018
176 3EWK FAD 0.01021 0.40349 3.0837
177 3ZUY TCH 0.002127 0.41163 3.09598
178 2PWY SAH 0.003638 0.40754 3.10078
179 3SVL FMN 0.002972 0.40141 3.10881
180 1BGQ RDC 0.0006861 0.43992 3.11111
181 5YAS FAC 0.0008537 0.40626 3.11284
182 3H86 AP5 0.004179 0.43096 3.125
183 1H8G CHT 0.006448 0.45234 3.15789
184 4AF5 CIT 0.001904 0.43693 3.15789
185 2HVW DDN 0.0004845 0.42501 3.26087
186 3WBF NAP 0.002769 0.41972 3.27869
187 3WBF API 0.005441 0.41349 3.27869
188 3I6B KDO 0.00005325 0.43274 3.33333
189 2VKL MLT 0.01486 0.42412 3.33333
190 1T26 NAI 0.002754 0.4645 3.34347
191 1T26 GBD 0.002754 0.4645 3.34347
192 2C7G FAD 0.001057 0.46302 3.34347
193 2C7G ODP 0.001034 0.46261 3.34347
194 2GSD NAD 0.000406 0.46048 3.34347
195 1TB4 PEJ 0.002075 0.42597 3.34347
196 1CL2 PPG 0.001096 0.42137 3.34347
197 1MG1 MAL 0.0022 0.41398 3.34347
198 2R42 FPS 0.002192 0.4103 3.34347
199 1KTC NGA 0.006446 0.40289 3.34347
200 4N4J HG1 0.01623 0.40141 3.34347
201 4PFW MAN MAN BMA BMA BMA BMA 0.0293 0.40092 3.34347
202 1SOW NAD 0.001878 0.43037 3.35366
203 2OZE AGS 0.002461 0.40646 3.3557
204 3NCQ ATP 0.002443 0.41046 3.36134
205 4B16 NAG 0.00009629 0.5365 3.38346
206 3N5O GSH 0.003592 0.40046 3.40426
207 2XK9 XK9 0.0009971 0.44376 3.41615
208 2NS1 ADP 0.01231 0.40008 3.44828
209 1Y2W NAG 0.002032 0.4357 3.52113
210 2HFP NSI 0.009492 0.41181 3.5461
211 1OFH ADP 0.02523 0.40622 3.54839
212 2J8C U10 0.03245 0.41943 3.55872
213 4JWX 1N4 0.001277 0.43138 3.57143
214 3CF6 SP1 0.001056 0.40579 3.59281
215 1YHM AHD 0.0001312 0.47908 3.64742
216 2XCG XCG 0.0006446 0.44564 3.64742
217 1KOL NAD 0.001763 0.43642 3.64742
218 4IVG ANP 0.004622 0.43214 3.64742
219 3NNF AKG 0.00353 0.42528 3.64742
220 2WQP WQP 0.001886 0.42316 3.64742
221 1DSS NAD 0.002158 0.41937 3.64742
222 3GE7 AFQ 0.004722 0.41592 3.64742
223 2XVE FAD 0.01891 0.41349 3.64742
224 2P1O NLA 0.004854 0.41165 3.64742
225 2P1O IHP 0.004854 0.41165 3.64742
226 2Q09 DI6 0.003061 0.41065 3.64742
227 2HXT EHM 0.001263 0.41019 3.64742
228 3O3O 2RH 0.01844 0.40378 3.64742
229 9LDT OXM 0.03907 0.40232 3.64742
230 9LDB NAD 0.00947 0.40163 3.64742
231 1TOI HCI 0.008838 0.40025 3.64742
232 1N9L FMN 0.000002673 0.47602 3.66972
233 1HDR NAD 0.001155 0.45625 3.68852
234 2O66 FLC 0.001576 0.43385 3.7037
235 1LNX URI 0.001386 0.42995 3.7037
236 3EW2 BTN 0.002193 0.41633 3.7037
237 3FB4 AP5 0.03233 0.40272 3.7037
238 2EB5 OXL 0.003626 0.42477 3.74532
239 3JUQ AKD 0.01488 0.40259 3.78378
240 3JUQ AJD 0.01549 0.40022 3.78378
241 1GSA ADP 0.002776 0.43962 3.79747
242 1GSA GSH 0.003145 0.43175 3.79747
243 1PZO CBT 0.02259 0.41053 3.80228
244 3F81 STT 0.00401 0.44454 3.82514
245 2PFC PLM 0.001294 0.4044 3.82514
246 3QP4 HL0 0.001598 0.40052 3.84615
247 1V1A ADP 0.003255 0.41701 3.8835
248 1V1A KDG 0.001912 0.41346 3.8835
249 2RGX AP5 0.02543 0.4098 3.8835
250 1IYE PGU 0.007208 0.40626 3.8835
251 3CL7 HYN 0.001009 0.4302 3.8961
252 1F5F DHT 0.0001476 0.42794 3.90244
253 1XE7 GUN 0.000711 0.48139 3.94089
254 1I2B USQ 0.0008822 0.46549 3.95137
255 1I2B NAD 0.0008822 0.46549 3.95137
256 1I2B UPG 0.0008822 0.46549 3.95137
257 4LWA Q13 0.005632 0.41951 3.95137
258 1ECC PCP 0.0021 0.41649 3.95137
259 3K5X P8D 0.0004359 0.41567 3.95137
260 2CJH AKG 0.001089 0.41491 3.95137
261 2ZYF AKG 0.00404 0.40593 3.95137
262 4DQ2 BTX 0.0004753 0.44923 3.96341
263 1UJ5 5RP 0.0002423 0.43022 3.96476
264 3NFZ 3NF 0.002501 0.40416 3.97554
265 2VDJ HSE 0.001512 0.45652 3.98671
266 4B9E FAH 0.005327 0.42384 3.98671
267 4COQ SAN 0.002552 0.43141 4.04858
268 2EIX FAD 0.01498 0.40812 4.11523
269 2NX1 RP5 0.002138 0.42259 4.11985
270 2NX1 PEP 0.002909 0.41746 4.11985
271 1S3G AP5 0.03025 0.40417 4.14747
272 2DTX BMA 0.003125 0.42981 4.16667
273 2D0V PQQ 0.003812 0.40145 4.16667
274 4JCA CIT 0.01619 0.4222 4.19162
275 1EB9 HBA 0.001893 0.40861 4.19847
276 3SJ0 DXC 0.004508 0.42712 4.22535
277 2VBQ BSJ 0.00003166 0.50283 4.24242
278 2YPO PHE 0.00003027 0.49708 4.25532
279 1CKM GTP 0.00008234 0.4721 4.25532
280 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0002569 0.44873 4.25532
281 2IZ1 ATR 0.001353 0.44338 4.25532
282 3DG6 MUC 0.0002763 0.4337 4.25532
283 1QO0 BMD 0.002682 0.43047 4.25532
284 4A6D SAM 0.0008982 0.42455 4.25532
285 1PEA ACM 0.02346 0.40037 4.25532
286 1ZK7 FAD 0.0001734 0.4872 4.28266
287 4Q0A 4OA 0.0002462 0.41349 4.30464
288 2ALG DAO 0.00005031 0.47288 4.34783
289 1X8X TYR 0.0004739 0.414 4.34783
290 2ALG HP6 0.009483 0.40855 4.34783
291 3C1O NAP 0.0006688 0.43694 4.36137
292 1OTH PAO 0.005169 0.41315 4.36137
293 4K30 NLG 0.004342 0.40985 4.375
294 1Q0H NDP 0.0008654 0.46051 4.4335
295 1Q0H FOM 0.002918 0.43692 4.4335
296 2F59 INI 0.0005169 0.4025 4.4586
297 3O03 NAP 0.02496 0.40576 4.46735
298 3OIG NAD 0.002637 0.44858 4.51128
299 3OIG IMJ 0.01022 0.4027 4.51128
300 1KDK DHT 0.0002177 0.45142 4.51977
301 3U1T MLI 0.0001344 0.496 4.53074
302 2XDQ MGX 0.0003274 0.49789 4.55927
303 1RYI GOA 0.001552 0.49295 4.55927
304 1R37 NAD 0.000971 0.44422 4.55927
305 3LST SAH 0.0003281 0.43104 4.55927
306 1OLS TDP 0.01056 0.41309 4.55927
307 3EBL GA4 0.01409 0.40051 4.55927
308 1SBZ FMN 0.01055 0.40099 4.56853
309 1NN5 2DT 0.004195 0.41411 4.65116
310 1NN5 ANP 0.004195 0.41411 4.65116
311 2CSN CKI 0.0002607 0.45419 4.7138
312 4GLJ RHB 0.01092 0.40041 4.7138
313 1QH9 LAC 0.002892 0.42904 4.74138
314 3U5S FAD 0.01222 0.4034 4.7619
315 4FDV 0UK 0.006581 0.40904 4.78469
316 2FR6 CTN 0.0002008 0.41569 4.79452
317 2FR6 URI 0.0003282 0.41331 4.79452
318 3OZG SSI 0.0007398 0.42094 4.8
319 4BCS BTN 0.002626 0.40117 4.8
320 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01566 0.40969 4.80769
321 1U72 MTX 0.03133 0.41315 4.83871
322 2A0W DIH 0.004069 0.41906 4.84429
323 1Z45 NAD 0.0007453 0.4432 4.86322
324 3TXO 07U 0.0002852 0.43321 4.86322
325 2DKH FAD 0.004877 0.41536 4.86322
326 1Z45 GAL 0.000407 0.405 4.86322
327 3FSJ D7K 0.04361 0.40121 4.86322
328 4L7I SAM 0.001002 0.40051 4.86322
329 1ZGA SAH 0.002405 0.40023 4.86322
330 1Y1A GSH 0.004484 0.46074 4.91803
331 2OFE NAG 0.002256 0.43373 4.92958
332 1IUP ALQ 0.0002756 0.45993 4.96454
333 3IL6 B83 0.002184 0.41035 4.98442
334 1NX4 AKG 0.0004266 0.40212 5.12821
335 1HSJ GLC 0.004078 0.46308 5.16717
336 3WE0 FAD 0.001686 0.44476 5.16717
337 1W55 C 0.002678 0.44026 5.16717
338 2ZJ5 ADP 0.003189 0.42101 5.16717
339 4G1V FAD 0.005682 0.40629 5.16717
340 4MWV BCZ 0.01209 0.40413 5.16717
341 1FFU FAD 0.02831 0.40369 5.16717
342 3RDE OYP 0.01443 0.40166 5.16717
343 3RF4 FUN 0.001359 0.43029 5.17241
344 2R40 EPH 0.009954 0.41927 5.26316
345 2R40 20E 0.009822 0.41265 5.26316
346 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.014 0.40228 5.26316
347 1C3V NDP 0.009142 0.40223 5.30612
348 6FIV 3TL 0.0007672 0.41791 5.30973
349 5FIT AP2 0.0003151 0.4262 5.44218
350 1XRO LEU 0.02654 0.40304 5.46075
351 2IXB A2G 0.0004276 0.46336 5.47112
352 2OWZ CIT 0.0007152 0.45542 5.47112
353 4W6Z ETF 0.004473 0.44221 5.47112
354 1C0I FAD 0.00223 0.44171 5.47112
355 1C0I BE2 0.00223 0.44171 5.47112
356 3BW2 FMN 0.001713 0.4292 5.47112
357 3I0O ADP 0.001269 0.42013 5.47112
358 1F8F NAD 0.01138 0.41884 5.47112
359 1TIW FAD 0.005791 0.41799 5.47112
360 1TIW TFB 0.005791 0.41799 5.47112
361 2Q8M AMP 0.001097 0.4173 5.47112
362 4MZ7 DTP 0.003869 0.41548 5.47112
363 1E4E PHY 0.0005903 0.41507 5.47112
364 4MZ7 DGT 0.004656 0.41236 5.47112
365 1JQI CAA 0.00003285 0.40645 5.47112
366 2BW7 APC 0.04371 0.40563 5.47945
367 3ICC NAP 0.01018 0.40161 5.4902
368 3I51 45C 0.002134 0.40669 5.55556
369 4CMF PXG 0.0005926 0.46918 5.59006
370 3RFV NAI 0.00238 0.4208 5.61798
371 3RFV 15L 0.005699 0.40482 5.61798
372 3SHR CMP 0.0006629 0.43082 5.68562
373 3IOI 1GW 0.00941 0.40294 5.7047
374 3VKX T3 0.0007123 0.42928 5.74713
375 1U7Z PMT 0.002624 0.42595 5.75221
376 4A3R CIT 0.003037 0.42587 5.77508
377 3DGB MUC 0.0007212 0.42399 5.77508
378 1LVL FAD 0.008768 0.41552 5.77508
379 2YYJ FAD 0.03932 0.40823 5.77508
380 2YYJ 4HP 0.03932 0.40823 5.77508
381 1LVL NAD 0.0043 0.40136 5.77508
382 1T57 FMN 0.0004137 0.44103 5.82524
383 3CQD ATP 0.01087 0.40599 5.82524
384 2GJ3 FAD 0.00908 0.40767 5.83333
385 1SS4 CIT 0.001733 0.47591 5.88235
386 1SS4 GSH 0.003603 0.47534 5.88235
387 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.009782 0.41702 5.88235
388 1R6W 164 0.00002061 0.46455 5.90062
389 4IEH 1E9 0.009333 0.41215 5.91716
390 3GJB AKG 0.0008232 0.43298 5.95611
391 4HZO COA 0.002156 0.42217 5.97484
392 3ZS7 ATP 0.0007922 0.43051 6
393 3QP6 HL6 0.001333 0.40936 6.03774
394 1GU3 BGC BGC BGC BGC BGC 0.003334 0.4145 6.04027
395 2BLE 5GP 0.002617 0.44872 6.07903
396 1TUF AZ1 0.0003294 0.44854 6.07903
397 1YOE RIB 0.0009386 0.43784 6.07903
398 4USQ FAD 0.007696 0.40872 6.07903
399 1X1T NAD 0.009598 0.43102 6.15385
400 2UZ2 BTN 0.002698 0.40075 6.15385
401 3PNL ADP 0.00108 0.4255 6.16114
402 4EXO PYR 0.004639 0.43363 6.16438
403 4M7F BM3 0.003155 0.41548 6.19469
404 1MVN PCO 0.006061 0.43147 6.2201
405 2W3L DRO 0.002003 0.45934 6.25
406 1Y7P RIP 0.001554 0.45596 6.27803
407 4U9W COA 0.0008878 0.40212 6.28019
408 1CBF SAH 0.0003054 0.42506 6.31579
409 1V6A TRE 0.0008579 0.44492 6.3253
410 1A8R GTP 0.001792 0.41351 6.33484
411 1WUR 8DG 0.001041 0.42609 6.36364
412 1VDC FAD 0.003939 0.43333 6.38298
413 2HGS ADP 0.001541 0.41974 6.38298
414 4C0X FMN 0.0004494 0.44693 6.40394
415 4C0X AQN 0.001574 0.43201 6.40394
416 3SQG COM 0.006454 0.44279 6.45161
417 3SQG TP7 0.000482 0.41815 6.45161
418 1OMZ UD2 0.01798 0.40274 6.48464
419 4F2Q QUS 0.0000488 0.4605 6.58915
420 2OYS FMN 0.0003058 0.44388 6.61157
421 3MB5 SAM 0.002318 0.44459 6.66667
422 4I71 AGV 0.0004904 0.43203 6.68693
423 3ZRR PXG 0.0009597 0.42349 6.68693
424 2F2U M77 0.001185 0.42127 6.68693
425 2ZJ3 G6P 0.001171 0.42031 6.68693
426 1MDZ DCS 0.008492 0.40588 6.68693
427 3I8P 840 0.001433 0.40215 6.68693
428 1VQ2 DDN 0.0005263 0.42864 6.73575
429 3VPD ANP 0.0001293 0.45771 6.76157
430 3ORF NAD 0.02116 0.40338 6.77291
431 1M5B BN1 0.0003675 0.48317 6.84411
432 1QY1 PRZ 0.001869 0.41477 6.89655
433 2C2A ADP 0.000241 0.42094 6.97674
434 4DYO SD4 0.001962 0.41822 6.99088
435 2NLI FMN 0.01243 0.41425 6.99088
436 2NLI LAC 0.01243 0.41425 6.99088
437 3JQ3 ADP 0.003351 0.40415 6.99088
438 1TUV VK3 0.001186 0.47049 7.01754
439 3H22 B53 0.0008173 0.40577 7.07071
440 3TCT 3MI 0.02484 0.40312 7.08661
441 2GDZ NAD 0.00563 0.40916 7.11611
442 3F8C HT1 0.0001401 0.47789 7.14286
443 3BEJ MUF 0.008587 0.41224 7.14286
444 3P3N AKG 0.0004435 0.46443 7.16332
445 2WA4 069 0.002316 0.40539 7.16332
446 1V2X SAM 0.002952 0.40554 7.2165
447 4LXH C1E 0.001115 0.41684 7.22022
448 3WO0 ADP 0.001214 0.44286 7.29483
449 3WO0 ALA 0.001214 0.44286 7.29483
450 3A2Q ACA ACA 0.0002701 0.43913 7.29483
451 1YBH FAD 0.01383 0.43036 7.29483
452 1YBH P22 0.006867 0.40708 7.29483
453 1VJT NAD 0.002761 0.40661 7.29483
454 1UBY DMA 0.01015 0.40169 7.29483
455 2VAR KDF 0.0002174 0.44311 7.34824
456 2VAR KDG 0.001672 0.41059 7.34824
457 4LO6 SIA GAL 0.01199 0.41095 7.36842
458 4MKG AP5 0.01903 0.41426 7.37327
459 3D3W NAP 0.005078 0.41219 7.37705
460 1PR9 NAP 0.008892 0.40509 7.37705
461 2D37 FMN 0.002788 0.41668 7.38636
462 4DVE BTN 0.000204 0.4268 7.57576
463 1X54 4AD 0.0006775 0.43672 7.59878
464 1TU3 GNP 0.001509 0.42526 7.60234
465 3D2Y AH0 ALA FGA LYS 0.0005165 0.40667 7.66284
466 4DN8 BMA 0.006675 0.41323 7.69231
467 2YGN PCF 0.004719 0.41078 7.69231
468 1EXB NDP 0.004338 0.44599 7.76699
469 2PT9 2MH 0.0004744 0.45648 7.78816
470 2PT9 S4M 0.0003315 0.45023 7.78816
471 4NE2 SH2 0.001966 0.43335 7.90274
472 1DLJ UGA 0.004705 0.43182 7.90274
473 1DLJ NAI 0.005417 0.42928 7.90274
474 4NE2 ADP 0.0077 0.40755 7.90274
475 3V1U NAD 0.006945 0.40007 7.90274
476 4IAE 1DX 0.005712 0.42791 7.93651
477 3R35 4CO 0.0009961 0.43975 7.94702
478 4B5P ACO 0.01362 0.40876 8
479 3CEV ARG 0.005416 0.40094 8.02676
480 1UWC FER 0.02931 0.40529 8.04598
481 1OAA OAA 0.002377 0.43868 8.10811
482 1NXJ GLV 0.003748 0.4072 8.19672
483 2NCD ADP 0.001432 0.43559 8.20669
484 1IID NHM 0.01516 0.42014 8.20669
485 2OI2 DP6 0.001087 0.4078 8.21918
486 3WCS MAN NAG GAL 0.001091 0.40008 8.26772
487 2BNE U5P 0.002001 0.4312 8.29876
488 1WNG SAH 0.0004945 0.40092 8.30189
489 1EP2 ORO 0.0007819 0.44793 8.42912
490 1EP2 FMN 0.0009173 0.43669 8.42912
491 1EP2 FAD 0.001433 0.42272 8.42912
492 4FGC PQ0 0.0002696 0.40408 8.48485
493 1D09 PAL 0.0225 0.42772 8.70968
494 1C1L GAL BGC 0.003859 0.43018 8.75912
495 1SQ5 PAU 0.004273 0.41013 8.76623
496 1H16 PYR 0.0006268 0.47449 8.81459
497 1V35 NAI 0.0006079 0.46066 8.81459
498 1D6H COA 0.001189 0.45093 8.81459
499 2V6O FAD 0.005841 0.44156 8.81459
500 3L24 GOA 0.0114 0.42223 8.81459
501 1BWO LPC 0.009687 0.40454 8.88889
502 4NVP 7CH 0.001503 0.43797 9.09091
503 1ZJ6 G3D 0.00217 0.40643 9.09091
504 3NKS FAD 0.001131 0.44527 9.11854
505 1FIQ FAD 0.0004026 0.45929 9.13242
506 1FIQ SAL 0.001143 0.43879 9.13242
507 1FIQ MTE 0.001633 0.43 9.13242
508 3KJQ B94 0.0009374 0.41981 9.14634
509 3E6J DR2 0.02308 0.41056 9.17031
510 4TMK T5A 0.001062 0.48929 9.38967
511 1SAZ ACP 0.03377 0.40923 9.42249
512 1B9I PXG 0.004194 0.40522 9.42249
513 4ARF IP8 GLY PRO ALA 0.002758 0.40041 9.42249
514 4F8L GAL 0.001073 0.49434 9.65517
515 2VPR TDC 0.0006316 0.41287 9.66184
516 1M2Z BOG 0.02887 0.40898 9.72763
517 3BQD DAY 0.01294 0.40225 9.80392
518 4GYW UDP 0.0000386 0.49631 10.0304
519 1GPJ CIT 0.0008935 0.45122 10.0304
520 1I7L ATP 0.001595 0.42098 10.0324
521 3GM5 CIT 0.001343 0.44352 10.0629
522 4BMO FMN 0.001827 0.42211 10.084
523 2F01 BTQ 0.003534 0.44665 10.2362
524 2F01 BTN 0.03076 0.40617 10.2362
525 1EZV SMA 0.0002809 0.45471 10.4
526 1EZV UQ6 0.003523 0.40635 10.4
527 3BL6 FMC 0.001482 0.41451 10.4348
528 4OE4 NAD 0.002724 0.42207 10.6383
529 1QF5 GDP 0.007939 0.42075 10.6383
530 1QF5 RPL 0.007939 0.42075 10.6383
531 1R27 MGD 0.004659 0.41962 10.6383
532 2ZJF BSU 0.001404 0.41847 10.6383
533 2E1A MSE 0.00008606 0.47135 10.6667
534 2JGS BTN 0.00418 0.41325 10.7692
535 1JUV NDP 0.0002933 0.454 10.8808
536 1OWB NAD 0.004826 0.41241 10.9422
537 3E81 SLB 0.0001327 0.47887 10.9756
538 2X61 CH 0.006535 0.41036 11.2403
539 2J1P GRG 0.009759 0.40964 11.2628
540 3BY8 MLT 0.00355 0.43181 11.2676
541 2JFV FLC 0.0006922 0.45604 11.3402
542 4P3H 25G 0.002836 0.4365 11.399
543 3TKA CTN 0.0003493 0.54215 11.5274
544 3TKA SAM 0.0002074 0.40355 11.5274
545 2DWU DGL 0.0001299 0.46435 11.5942
546 3UEC ALA ARG TPO LYS 0.001651 0.44683 11.6438
547 3ET1 ET1 0.009422 0.40318 11.6838
548 1NF8 ISC 0.0003924 0.42262 12.0773
549 3FXU TSU 0.0003151 0.44926 12.1311
550 1MQ0 BRD 0.0005774 0.4223 12.1429
551 4G4S LDZ 0.000493 0.41102 12.5
552 3ZLM ANP 0.001113 0.41905 12.766
553 3LTW HLZ 0.00006849 0.49967 13.2143
554 1NVU GTP 0.002546 0.44618 13.253
555 3DDC GNP 0.000739 0.43703 13.253
556 4ELG 52J 0.01159 0.40924 13.253
557 1SC3 MLI 0.00173 0.45377 14.0449
558 2V7T SAH 0.005385 0.44955 14.0468
559 3MTW M3R 0.001487 0.40097 14.8936
560 2EW5 Y12 0.01061 0.40272 14.9171
561 4CCO OGA 0.003616 0.41307 15
562 1BTN I3P 0.00184 0.48458 15.0943
563 3SCM LGN 0.03604 0.41138 15.1515
564 1QD0 RR6 0.001102 0.41723 15.625
565 1G8S MET 0.009027 0.40751 15.6522
566 1YOA FMN 0.008445 0.446 15.7233
567 1L2T ATP 0.002685 0.41249 15.7447
568 2Q4V ACO 0.01751 0.40216 15.8824
569 4AMV F6R 0.0002069 0.44081 16.1094
570 1JIL 485 0.000754 0.42734 16.1094
571 1A5Z OXM 0.01065 0.41662 16.3009
572 2AMV BIN 0.02335 0.4028 16.4134
573 4W97 UCA 0.0004252 0.44436 16.5
574 4O1M NAD 0.002969 0.41994 16.5079
575 4GQB 0XU 0.02185 0.40547 18.1818
576 2CDN ADP 0.007465 0.41339 19.403
577 1Y75 NAG 0.0003686 0.44664 19.4915
578 2JBZ COA 0.0009838 0.45678 25.8741
579 4EJ1 FOL 0.006096 0.40976 28.3582
580 1O9U ADZ 0.002542 0.45426 33.3333
Pocket No.: 4; Query (leader) PDB : 3W54; Ligand: RNB; Similar sites found: 137
This union binding pocket(no: 4) in the query (biounit: 3w54.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HMT NAI 0.02208 0.4023 None
2 4M51 BEZ 0.001462 0.45721 1.51976
3 3IO3 ADP 0.0002348 0.4437 1.51976
4 4Q3R XA2 0.002472 0.41713 1.51976
5 3UR0 SVR 0.0148 0.40707 1.51976
6 2H6B 3C4 0.01546 0.41324 1.6
7 1WGC SIA GAL BGC 0.03067 0.40781 1.75439
8 1LC8 33P 0.004751 0.40784 1.82371
9 2YFT DQR 0.001126 0.40578 1.82371
10 1PVN MZP 0.03404 0.40251 1.82371
11 3UST FAD 0.008865 0.40236 1.87266
12 1TO9 HMH 0.0002074 0.40045 1.92308
13 3DCM SAM 0.0006929 0.42869 2.08333
14 2H8Z FMN 0.004551 0.41139 2.12766
15 2H8Z 8CM 0.004551 0.41139 2.12766
16 2W8Q SIN 0.002975 0.40542 2.12766
17 3RHZ UDP 0.002847 0.40415 2.12766
18 1Y7I SAL 0.0003845 0.40548 2.23881
19 3P7N FMN 0.004911 0.42003 2.32558
20 1J5P NAD 0.005288 0.40749 2.37154
21 1FP2 HMO 0.0006587 0.41349 2.43161
22 1T10 F6P 0.007757 0.4048 2.43161
23 1FBL HTA 0.004292 0.40007 2.43161
24 4QJR PIZ 0.005287 0.42691 2.44898
25 1YRX FMN 0.0007954 0.40978 2.47934
26 3TO7 COA 0.004481 0.42247 2.53623
27 3KMZ EQO 0.009607 0.41601 2.63158
28 2YIV YIV 0.001534 0.45623 2.73556
29 4WVH ASP HIS ASP ALA HIS ALA 0.001939 0.41842 2.73556
30 2ZFU SAH 0.01217 0.40178 2.7907
31 1LYX PGA 0.001708 0.40553 2.82258
32 3FS8 TDR 0.04864 0.40144 2.9304
33 1MZV AMP 0.0004955 0.43561 2.97872
34 3MCT SAH 0.002208 0.41209 3.0303
35 1G2N EPH 0.01401 0.40382 3.0303
36 1I0Z OXM 0.01335 0.41884 3.03951
37 3VHZ L2P GLC MAN SGA 0.03215 0.40619 3.05344
38 3ZJQ NCA 0.02408 0.40245 3.07692
39 3PXP MYR 0.0007019 0.40344 3.08219
40 4BT5 23B 0.00004835 0.44086 3.11284
41 3R51 MMA 0.03062 0.401 3.125
42 2DVZ GLU 0.0002902 0.42585 3.18471
43 3PMD 11A 0.003885 0.40171 3.26797
44 4LIT AKG 0.0004303 0.45747 3.34347
45 4CDN FO1 0.01525 0.42697 3.34347
46 3LIH RAF 0.0009323 0.42185 3.34347
47 1ZFJ IMP 0.02863 0.41974 3.34347
48 3IB8 AMP 0.0009967 0.41386 3.34347
49 1UKW FAD 0.01012 0.40722 3.34347
50 3CKJ CIT 0.00684 0.40178 3.34347
51 3Q8G PEE 0.03838 0.40927 3.4375
52 4AIG FLX 0.000704 0.40729 3.48259
53 4BAS GNP 0.001898 0.41452 3.51759
54 2P1M IHP 0.002305 0.41828 3.64742
55 4WNB 4BN 0.001905 0.40841 3.74332
56 1YP0 PEF 0.003961 0.42797 3.76569
57 1QJC PNS 0.02287 0.40499 3.79747
58 4WX0 HXD 0.0003125 0.43438 3.80228
59 1P1M MET 0.00006853 0.41175 3.95137
60 2OBD PCW 0.01983 0.40476 3.95137
61 3WCA FPS 0.0166 0.40326 3.95137
62 4EPL JAI 0.001309 0.40287 3.95137
63 2WKQ FMN 0.00156 0.44102 4.25532
64 1QW9 KHP 0.001799 0.42236 4.25532
65 4QVH COA 0.003916 0.41178 4.25532
66 1MXI SAH 0.0003243 0.41053 4.375
67 1AUX AGS 0.00196 0.40796 4.50161
68 4KCT PYR 0.0002155 0.45575 4.55927
69 1WDA BAG 0.0003998 0.44526 4.55927
70 1Q3P GLU ALA GLN THR ARG LEU 0.002624 0.41327 4.58716
71 2Y6P CTP 0.003075 0.40557 4.70085
72 4C25 13P 0.00668 0.40495 4.71698
73 2P8B NSK 0.02694 0.42413 4.86322
74 2DKH 3HB 0.007725 0.41397 4.86322
75 1ZGA HMK 0.001351 0.4042 4.86322
76 2C4I BTN 0.001699 0.40797 5.16605
77 3AHQ FAD 0.01272 0.40423 5.16717
78 3L9R L9R 0.01731 0.41112 5.30035
79 1DKU AP2 0.001653 0.42612 5.36278
80 4O8A 2OP 0.0008119 0.47856 5.47112
81 2PP3 LGT 0.0001477 0.44338 5.47112
82 2IXB NAD 0.00216 0.42666 5.47112
83 1U5R ATP 0.0005429 0.41528 5.47112
84 1LOX RS7 0.009275 0.40147 5.47112
85 4QN7 G39 0.0129 0.40091 5.47112
86 2OBF F83 0.03491 0.40372 5.53633
87 1Z4V DAN 0.001115 0.41704 5.77508
88 3E5P PPI 0.02126 0.40941 5.77508
89 3CKZ ZMR 0.0184 0.40057 5.77508
90 4C2Z 646 0.009333 0.4446 6.07903
91 2B4Q NAP 0.006055 0.40793 6.15942
92 4U9W SER GLY ARG GLY LYS NH2 0.003858 0.42051 6.28019
93 4OB6 S2T 0.001466 0.40122 6.45161
94 3O9L LPN 0.02841 0.40737 6.62651
95 4HZX G39 0.01546 0.4018 6.68693
96 2Q1A 2KT 0.001191 0.44579 6.82594
97 2Z6D FMN 0.001605 0.44045 6.92308
98 4MIB 28M 0.04237 0.42189 6.99088
99 4B7E OGA 0.0003489 0.40013 7.16332
100 2D4N DUP 0.002392 0.41522 7.23684
101 2GWD GLU 0.005387 0.40103 7.29483
102 2VAR AMP 0.0004122 0.43864 7.34824
103 2WCI GSH 0.006747 0.40735 7.40741
104 2Y7G AAE 0.001252 0.40312 7.44681
105 1PFK ADP 0.00002344 0.47477 7.5
106 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.02506 0.41187 8
107 1OGZ EQU 0.001081 0.40716 8
108 2WE5 ADP 0.002195 0.40165 8.06452
109 3FAL REA 0.006044 0.40005 8.26446
110 2IUW AKG 0.0004348 0.41018 8.40336
111 1SQ5 ADP 0.0007687 0.42298 8.76623
112 3H0A D30 0.01543 0.40617 8.77193
113 1H16 DTL 0.02217 0.40796 8.81459
114 1NHZ 486 0.00001967 0.42632 8.92857
115 2ZSH GA3 0.0115 0.40464 9.09091
116 2Z6C FMN 0.004223 0.42114 9.30233
117 1PX8 XYP 0.004305 0.41554 9.42249
118 1POC GEL 0.001982 0.40778 9.70149
119 2JAR UMP 0.0001167 0.42317 10
120 4LWU 20U 0.007881 0.40254 10.5882
121 1IYK MYA 0.00586 0.43167 10.6383
122 1W3R PYR 0.002859 0.44351 10.6481
123 2CE7 ADP 0.002438 0.40003 10.9422
124 3TGE TGE 0.03797 0.40951 11.0429
125 2BZ1 TAU 0.001989 0.4799 11.2245
126 2X61 NGA GAL SIA 0.008063 0.42659 11.2403
127 2JC9 ADN 0.002254 0.42139 11.2462
128 4JMU 1ML 0.01801 0.42817 12.5
129 2GBB CIT 0.003963 0.40005 12.8205
130 2JE7 XMM 0.006644 0.40227 13.8075
131 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03135 0.40939 14.8551
132 3EM1 TYD 0.001721 0.4206 15.0685
133 4LFL TG6 0.001085 0.40199 15.4321
134 4B4D FAD 0.0009011 0.4265 16.0305
135 2ZCQ B65 0.02879 0.40882 18.43
136 4R38 RBF 0.003753 0.42544 22.8571
137 2QQF A1R 0.003745 0.41027 36.3636
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