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Receptor
PDB id Resolution Class Description Source Keywords
3C3N 2.2 Å EC: 1.3.3.1 CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM TRYPA CRUZI STRAIN Y TRYPANOSOMA CRUZI DHODH TRYPANOSOMA CRUZI STRAIN Y DIHYDROOROTATE DEHYDROGENPYRD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI DIHYDROOROTA DEHYDROGENASE FROM Y STRAIN BIOCHEM.BIOPHYS.RES.COMMUN. V. 369 812 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:315;
B:315;
C:316;
D:316;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:316;
A:317;
B:316;
C:2;
D:317;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:600;
B:600;
C:600;
D:600;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C3N 2.2 Å EC: 1.3.3.1 CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM TRYPA CRUZI STRAIN Y TRYPANOSOMA CRUZI DHODH TRYPANOSOMA CRUZI STRAIN Y DIHYDROOROTATE DEHYDROGENPYRD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI DIHYDROOROTA DEHYDROGENASE FROM Y STRAIN BIOCHEM.BIOPHYS.RES.COMMUN. V. 369 812 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3C3N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2E6D - FUM C4 H4 O4 C(=C/C(=O)....
3 4WZH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1JQX Kd = 95 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
5 1JQV Kd = 117 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
6 2DOR - ORO C5 H4 N2 O4 C1=C(NC(=O....
7 1DOR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1JRB Kd = 1450 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
9 1JUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1OVD Kd = 7.6 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
11 1JRC Kd = 44 uM ORO C5 H4 N2 O4 C1=C(NC(=O....
12 2BX7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 2BSL Kd = 8 uM DHB C7 H6 O4 c1cc(c(cc1....
14 1JUB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EF8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3MJY Ki = 82.8 uM IJZ C5 H5 N3 O4 C1(=C(NC(=....
17 4EF9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 3MHU Ki = 212.93 uM EJZ C5 H3 N3 O6 C1(=C(NC(=....
19 3TQ0 - FUM C4 H4 O4 C(=C/C(=O)....
20 2B4G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 5XFV Kd = 0.000000012 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 3OIX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C3N; Ligand: FMN; Similar sites found with APoc: 225
This union binding pocket(no: 1) in the query (biounit: 3c3n.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 4K55 H6P None
3 1XXA ARG None
4 6BKL EU7 None
5 5CLO NS8 None
6 4JLZ UTP 1.28205
7 2CXG GLC GLC 1.28205
8 2PLK P3D 1.28205
9 6CIB ADP 1.28205
10 3ITJ CIT 1.60256
11 5YBL AKG 1.60256
12 2OO0 PLP 1.60256
13 2JK0 ASP 1.92308
14 4K91 SIN 1.92308
15 4PVR ASP 1.93548
16 5OVK NDP 1.95312
17 2JFQ DGL 2.0979
18 3ENV ABF 2.12766
19 3W9Z FMN 2.24359
20 4YMZ 13P 2.24359
21 3G5N PB2 2.24359
22 3HQP FDP 2.24359
23 1M26 GAL A2G 2.25564
24 1O8B ABF 2.28311
25 2BTM PGA 2.38095
26 1LYX PGA 2.41935
27 2YPI PGA 2.42915
28 5AJU RP5 2.55474
29 2Q3R FMN 2.5641
30 1VYP FMN 2.5641
31 1VYP TNF 2.5641
32 3ESS 18N 2.6087
33 2JDU MFU 2.6087
34 3BP1 GUN 2.75862
35 2WW4 ADP 2.82686
36 4TMC FMN 2.88462
37 4TMC HBA 2.88462
38 4JIQ FMN 2.88462
39 4JIQ 1L5 2.88462
40 4PPF FLC 2.88462
41 4UP4 NDG 2.88462
42 4UP4 NAG 2.88462
43 4AF0 IMP 2.88462
44 2H8Z 8CM 2.88462
45 2H8Z FMN 2.88462
46 4KVL PLM 2.88462
47 4UP4 GAL NAG 2.88462
48 3PPQ CHT 2.89389
49 2F9W PAU 2.95203
50 4K7O EKZ 2.97619
51 2VQ5 HBA 2.98507
52 3UDG TMP 2.99003
53 1M1B SPV 3.05085
54 4I9A NCN 3.125
55 4CW5 FMN 3.20513
56 1VHN FMN 3.20513
57 1OYB HBA 3.20513
58 1OYB FMN 3.20513
59 1P4C FMN 3.20513
60 3NIP 16D 3.20513
61 2OG7 SIN 3.20513
62 5W6Y TRP 3.20513
63 4XP7 FNR 3.52564
64 1ICP FMN 3.52564
65 2GJN NIS 3.52564
66 2GJN FMN 3.52564
67 5C9P FUC 3.52564
68 3O2K DST 3.52564
69 2GOU FMN 3.52564
70 1Q19 SSC 3.52564
71 2GMP NAG MAN 3.57143
72 2PHF MAN MAN BMA MAN 3.57143
73 1QDS PGA 3.58566
74 5EYW PGA 3.61446
75 3EXS 5RP 3.61991
76 1SW0 PGA 3.62903
77 4A3U FMN 3.84615
78 1ONX ASP 3.84615
79 1KC7 PPR 3.84615
80 5ZI9 FLC 3.84615
81 4UTU LRY 3.93013
82 4UTW RFW 3.93013
83 4OJ8 AKG 4.09556
84 5OCS FMN 4.16667
85 2RDT FMN 4.16667
86 2RDT 2RD 4.16667
87 1ME8 RVP 4.16667
88 2WCV FUC 4.28571
89 5FYR INS 4.36242
90 2Z6I FMN 4.48718
91 2HSA FMN 4.48718
92 5A2Z GTP 4.48718
93 2OEM 1AE 4.48718
94 4M26 AKG 4.48718
95 4JEJ 1GP 4.5082
96 3AI3 SOE 4.56274
97 1LFO OLA 4.6875
98 2V2G BEZ 4.72103
99 4YSX E23 4.78723
100 1TRD PGH 4.8
101 2Z6J FMN 4.80769
102 4NTK ZSP 4.95868
103 4NTM 2K8 4.95868
104 3VGL ANP 4.98442
105 2FLI DX5 5
106 1TIQ COA 5
107 5GVH FMN 5.12821
108 5T96 79J 5.12821
109 5A5W GUO 5.13834
110 1KBJ FMN 5.44872
111 1KBI FMN 5.44872
112 1KBI PYR 5.44872
113 1GXU 2HP 5.49451
114 6BSX E7S 5.61798
115 3D04 SAK 5.66038
116 1M5W DXP 5.76132
117 2NLI LAC 5.76923
118 2NLI FMN 5.76923
119 2Q3O FMN 5.76923
120 2R14 FMN 5.76923
121 3A75 GLU 5.76923
122 2R14 TXD 5.76923
123 4YMX ARG 5.76923
124 4NAE 1GP 5.77778
125 1G0C CBI 6.08974
126 4RW3 IPD 6.08974
127 1VMK GUN 6.13718
128 2FJK 13P 6.22951
129 3TAO PGH 6.36704
130 3ATY FMN 6.41026
131 4TQK NAG 6.41026
132 1O5Q PYR 6.55738
133 3B0P FMN 6.73077
134 4N02 FNR 6.73077
135 3QH2 3NM 6.78733
136 1PVN MZP 6.91489
137 2QMC GTB 6.91489
138 5EXA 5SO 6.95652
139 2ZRU FMN 7.05128
140 5W75 SUC 7.05128
141 4MZU TYD 7.05128
142 1Y2F WAI 7.19424
143 5O0X FAD 7.2165
144 4USF 6UI 7.23684
145 5TQZ GLC 7.33333
146 2C6Q NDP 7.37179
147 4OVZ P85 7.37179
148 5WHU SIA 7.38255
149 5WHU SIA GAL GLC 7.38255
150 6G47 SIA 7.6555
151 6BFG FMN 7.69231
152 2F6U CIT 7.69231
153 1FDJ 13P 7.69231
154 1FDJ 2FP 7.69231
155 4EWN 0VR 7.90514
156 5TCI MLI 7.97101
157 1KTG AMP 7.97101
158 4A59 AMP 8.01282
159 1DJN FMN 8.01282
160 1Z42 FMN 8.33333
161 1Z41 FMN 8.33333
162 1Z48 FMN 8.33333
163 1Z44 FMN 8.33333
164 4M5P FMN 8.33333
165 2G50 PYR 8.33333
166 1BO4 COA 8.33333
167 4IP7 FLC 8.33333
168 3BW2 FMN 8.40108
169 6BKA FMN 8.65385
170 1OFD AKG 8.65385
171 3KRU FMN 8.65385
172 1OFD FMN 8.65385
173 1Y13 BIO 8.83978
174 1PS9 FMN 8.97436
175 2WQ4 SFU 8.97436
176 5J5R IMP 8.97436
177 5J5R 6G1 8.97436
178 5WS9 OXL 9.29487
179 4IXH IMP 9.29487
180 1FQK ALF 9.52381
181 3HF3 FMN 9.61539
182 1Q6O LG6 9.72222
183 2IMG MLT 9.93377
184 4Q4K FMN 9.9359
185 3AXK NDP 10.0775
186 3GLC R5P 10.1695
187 5MB4 NAG 10.5769
188 6BVE PGA 10.6122
189 3UUA 0CZ 11.1554
190 1AL8 FMN 11.2179
191 1AL8 DHP 11.2179
192 5ENZ UDP 11.2179
193 4JUI EGR 11.2179
194 1D1Q 4NP 11.8012
195 6DVH FMN 11.859
196 5AHN IMP 11.859
197 5AHM IMP 11.859
198 4QNW FMN 12.1795
199 4JWK CTN 12.4352
200 3OVR 5SP 12.7193
201 4BI7 PGA 12.8405
202 3N9R TD3 13.0293
203 3MN5 LAB 13.1579
204 5CSS G3P 13.2743
205 1RE0 GDP 14.0244
206 4A34 FUL 14.2857
207 2YIP YIO 14.4928
208 1TV5 FMN 14.7436
209 1GVF PGH 15.035
210 1GYM MYG 15.1007
211 2DBX GLU 16.8421
212 1TB3 FMN 19.8718
213 5W97 CHD 24.4898
214 5ZCO CHD 24.4898
215 1GTE FMN 27.5641
216 1GTE IUR 27.5641
217 4IGH ORO 41.6667
218 4IGH 1EA 41.6667
219 4IGH FMN 41.6667
220 1UUO BRF 42.6282
221 1UUO FMN 42.6282
222 1UUO ORO 42.6282
223 4ORM ORO 44.5513
224 4ORM 2V6 44.5513
225 4ORM FMN 44.5513
Pocket No.: 2; Query (leader) PDB : 3C3N; Ligand: FMN; Similar sites found with APoc: 135
This union binding pocket(no: 2) in the query (biounit: 3c3n.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 2E1A MSE None
3 5IFK HPA 1.28205
4 4KCT PYR 1.60256
5 4JYD SAH 1.60256
6 1NBU PH2 1.68067
7 2W5P CL8 2.01342
8 1NXJ TLA 2.18579
9 4B1X LAB 2.24359
10 5O5Y GLC 2.24359
11 1V6A TRE 2.24359
12 1C3X 8IG 2.25564
13 1YC4 43P 2.27273
14 2QCD U5P 2.30769
15 3SHR CMP 2.34114
16 4B5W PYR 2.34375
17 1YQC GLV 2.35294
18 2EFX NFA 2.5641
19 4XFM THE 2.5641
20 1TZJ A3B 2.5641
21 4XDA ADP 2.589
22 1JCM 137 2.7027
23 5TG5 JW8 2.85714
24 3OUM TOF 2.88462
25 4PEG 5GP 2.88462
26 5XSS XYP 2.88462
27 4YRD 3IT 2.88462
28 5LXB 7A9 2.89256
29 1UZD CAP 2.98507
30 1WK8 VMS 3.09278
31 5TP0 BRN 3.125
32 1VKF CIT 3.19149
33 2ZTG A5A 3.20513
34 3WBG 2AN 3.26797
35 4MJ0 SIA SIA 3.27273
36 1W8S FBP 3.42205
37 4TR9 ASP TRP ASN 3.52564
38 5THY SAH 3.52564
39 2Z49 AMG 3.52564
40 2JIG PD2 3.57143
41 3NZ1 3NY 3.83142
42 5VLQ ANP 3.84615
43 3NC9 TR3 3.84615
44 3EC1 GDP 3.84615
45 1UJP CIT 4.05904
46 5KZD RCJ 4.09556
47 1BWV CAP 4.16667
48 3KVY URA 4.20712
49 2VSS V55 4.34783
50 2VSU V55 4.36364
51 3FJG 3PG 4.38247
52 3GAY P6T 4.48718
53 3T5M AMP 4.48718
54 2OQ5 BEN 4.74138
55 1OX5 1PR 4.80769
56 6AM8 TRP 4.80769
57 1NE7 AGP 4.84429
58 3MBI HSX 4.87805
59 1KYZ FER 5.12821
60 6FA4 D1W 5.20231
61 4JLS 3ZE 5.26316
62 2Y88 2ER 5.32787
63 5JBX MLI 5.36398
64 4EIL FOL 5.44872
65 5F7U GLC GLC 5.44872
66 1TL2 NDG 5.50847
67 3KIF GDL 5.66038
68 5N9Z CAP 5.7554
69 5OYA CAP 5.7554
70 5WXU FLC 5.76923
71 5ZZA LAB 5.78512
72 4RYV ZEA 5.80645
73 1VBO MAN MAN MAN 6.04027
74 2IU8 PLM 6.08974
75 4QYS PLR 6.08974
76 5M45 AMP 6.41026
77 4LRJ ANP 6.50888
78 1UZH CAP 6.55738
79 5ZZB LAB 6.61765
80 1XXR MAN 6.8323
81 5UIV ADP 7.04846
82 3KIH GDL 7.2165
83 2RI1 GLP 7.23404
84 2C6Q IMP 7.37179
85 1SQL GUN 7.53425
86 3BF1 PAU 7.63052
87 3UWV 2PG 7.66284
88 4M3P HCS 7.69231
89 5LA1 XYP 7.69231
90 5EQ8 HSO 7.94224
91 3AI8 HNQ 8.20312
92 4M5P 23W 8.33333
93 6H45 QEI 8.33333
94 3E3U NVC 8.62944
95 2PP3 LGT 8.65385
96 5D2H AKG 8.83392
97 3CTL S6P 9.09091
98 6B9T 2HE 9.19037
99 1APZ ASP 9.21986
100 3KP6 SAL 9.27152
101 2WR9 MAN MAN 9.375
102 4B1V LAB 9.375
103 2YLD CMO 9.44882
104 1IR1 CAP 9.7561
105 4PU6 ASP 9.92366
106 4IEE AGS 9.9359
107 1WDD CAP 10.1562
108 5YEE LAB 10.2941
109 5MB4 NDG 10.5769
110 4Z0G 5GP 10.5769
111 4Z87 5GP 10.5769
112 4AFH L0B 10.8696
113 2TPS TPS 11.0132
114 5VJE GOS 11.2179
115 5FUI APY 11.3636
116 2V67 CAP 11.4286
117 2V6A CAP 11.4286
118 2V68 CAP 11.4286
119 2VDH CAP 11.4286
120 2V63 CAP 11.4286
121 1IR2 CAP 11.4286
122 1RBL CAP 11.9266
123 5VIT MLI 12.1212
124 4V15 PLP 12.1795
125 4EZW ASN ARG LEU LEU LEU THR GLY 12.3288
126 3C56 PH4 13.0293
127 3QPB URA 13.1206
128 4PSW COA 13.1579
129 43CA NPO 13.2743
130 1SGJ OAA 15.0641
131 2OYH GLY HIS ARG PRO 16.6667
132 5GJO PLP 16.6667
133 5LPG 71V 17.0732
134 3IWD M2T 17.6471
135 2Z77 NCA 20.8633
Pocket No.: 3; Query (leader) PDB : 3C3N; Ligand: FMN; Similar sites found with APoc: 141
This union binding pocket(no: 3) in the query (biounit: 3c3n.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPB SAM None
2 2VWA PTY None
3 4P5E N6P None
4 1QAW TRP None
5 4C2G ALA ALA ALA ALA 1.60256
6 4BGB ADP 1.60256
7 5W0N 2KH 1.60256
8 2AQX ATP 1.7301
9 6BXL SAM 1.92308
10 1CT9 AMP 1.92308
11 1Q11 TYE 1.92308
12 1LW4 PLP 1.92308
13 5JPH COA 2.08333
14 3F4F UMP 2.39521
15 3S0E EOL 2.52101
16 5WP4 PC 2.5641
17 5UN9 NHT 2.5641
18 2X5F PLP 2.5641
19 5OD2 5ID 2.5641
20 4NSQ COA 2.63158
21 3LL5 ATP 2.81124
22 3MD0 GDP 2.88462
23 4WOE 3S5 2.88462
24 4UOX PUT 2.88462
25 6GIU L69 2.88809
26 1F6D UDP 2.92553
27 2R3A SAM 3
28 6MJF SAH 3.20513
29 1NJJ ORX 3.20513
30 2F2U M77 3.20513
31 4M00 SUC 3.20513
32 5XNC N4P 3.20513
33 4P8O 883 3.20856
34 4HBM 0Y7 3.33333
35 5YZ2 AMP 3.47222
36 2F5X ASP 3.52564
37 5JY4 ISC 3.52564
38 1A05 IPM 3.52564
39 4FL0 PLP 3.52564
40 3R9C ECL 3.52564
41 5LU5 M7P 3.5533
42 4BIX ADP 3.69128
43 2HHJ DG2 3.74532
44 5O22 C3R 3.80623
45 4R2I ANP 3.80952
46 4TS1 TYR 3.84615
47 1YBQ BDH 3.84615
48 1OPK MYR 3.84615
49 2HPL ASP ASP LEU TYR GLY 4
50 3SCH TB6 4.0404
51 2B4B COA 4.09357
52 5MUL BDP 4.16667
53 1WYV PLP AOA 4.16667
54 5WZN A2G 4.16667
55 4WMY 3S6 4.24837
56 5EVY FAD 4.3379
57 5H40 BGC BGC 4.48718
58 2B9I ADP 4.48718
59 1ZZ7 S0H 4.54545
60 1OGD RIP 4.58015
61 2C49 ANP 4.63576
62 1U1W 3HA 4.69799
63 5TZO 7V7 4.78723
64 5C1M 4VO 4.8
65 3P13 RIP 4.86111
66 4UEC MGT 4.8913
67 4CUB GAL NAG 4.91803
68 3RET SAL 4.9505
69 1VBJ CIT 4.98221
70 3EJ0 11X 5.10204
71 1S20 TLA 5.12821
72 6HKE LMR 5.12821
73 1NX4 AKG 5.12821
74 6HKE MLT 5.12821
75 4ZCW 4NG 5.12821
76 4Q3R XA2 5.12821
77 5YSN 5AD 5.12821
78 5WSY 7UC 5.20231
79 6HDT BTN 5.26316
80 5XXS COA 5.30303
81 5EPO TUD 5.34351
82 3V0H I3P 5.44872
83 4AMV F6R 5.44872
84 6F7X MFU 5.55556
85 5O74 GDP 5.58376
86 3Q2K HP7 5.76923
87 3WIR BGC 5.76923
88 3O7J 2AL 5.82011
89 1VHW ADN 5.92885
90 2II3 CAO 6.10687
91 3PDT ADP 6.18182
92 4C1W SLT 6.38298
93 5GQX GLC GLC GLC GLC 6.41026
94 1SVM ATP 6.41026
95 3FIU AMP 6.4257
96 4JEM C5P 6.47059
97 4WN0 G3P 6.92042
98 4X1B MLI 7.05128
99 2HVW DDN 7.06522
100 5NC1 NAG 7.173
101 5HTX ADP 7.37179
102 1NKI PPF 7.40741
103 4CL6 7SB 7.60234
104 4Q0A 4OA 7.94702
105 6F90 MVL 8.01282
106 2C9O ADP 8.01282
107 4NPT 017 8.08081
108 3RGG AIR 8.1761
109 2J5V RGP 8.33333
110 1V1A ADP 8.41424
111 4N9I PCG 8.57143
112 3ZZH ARG 8.79479
113 2HT6 GDP 9.1954
114 4LOC OXM 9.29487
115 5L7V GNL 9.29487
116 2AKO ADP 9.56175
117 1T9D P22 9.61539
118 5ECP GSH 9.86547
119 5MWE TCE 9.87654
120 5EJL C2E 10.4839
121 1KZL CRM 10.5769
122 1ZFJ IMP 10.5769
123 1K0D GSH 10.7692
124 4WUJ FMN 10.8844
125 4FFG 0U8 10.8974
126 2HI4 BHF 10.8974
127 1Q2D COA 11.1111
128 5WBF LAC 11.8519
129 2IDO TMP 12.0482
130 1FUR MLT 12.5
131 3QPB R1P 13.1206
132 1TV5 ORO 14.7436
133 1UI0 URA 15.122
134 3HY2 ATP 15.4545
135 2Y2B AH0 15.508
136 1UNQ 4IP 16
137 2BHZ MAL 16.0256
138 2XSB GDL 17.9487
139 3ZW2 NAG GAL FUC 21.8391
140 2EW5 Y12 23.7569
141 1JQY A32 24.2718
Pocket No.: 4; Query (leader) PDB : 3C3N; Ligand: FMN; Similar sites found with APoc: 81
This union binding pocket(no: 4) in the query (biounit: 3c3n.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5CX6 CDP 1.60256
2 1KAE HSO 1.60256
3 4KCT FDP 1.60256
4 3MAN BMA BMA MAN 1.65563
5 1NSZ GLC 1.92308
6 1IZC PYR 1.92308
7 4TWL ASC 2.03252
8 1Z6K OAA 2.04778
9 4UDK NDG 2.24359
10 2PW0 TRC 2.24359
11 4RF7 ARG 2.24359
12 3R7F CP 2.30263
13 2B1N LYS ALA SER VAL GLY 2.43902
14 2J4D MHF 2.5641
15 2XZ9 PYR 2.5641
16 1QW9 KHP 2.5641
17 4XDA RIB 2.589
18 5UC4 83S 2.72727
19 3LL5 IP8 2.81124
20 1OJ4 ANP 2.82686
21 1H2K OGA 2.88462
22 2XUM OGA 2.88462
23 1H2M OGA 2.88462
24 6CQF F97 3.0303
25 2ZL4 ALA ALA ALA ALA 3.06122
26 3P9T TCL 3.19635
27 5N0O SAM 3.20513
28 5A0U CHT 3.20513
29 4ETZ C2E 3.367
30 2V5K OXM 3.48432
31 2AL2 PEP 3.52564
32 4IA6 EIC 3.52564
33 1EKX PAL 3.53698
34 4FGC PQ0 3.63636
35 1VR0 3SL 3.64372
36 4YMU ARG 3.75
37 3MDV CL6 3.84615
38 2WE0 UMP 3.84615
39 3N9Q OGA 3.84615
40 4BHN BH9 3.84615
41 3H11 ALA ILE GLU THR ASA 4.05904
42 2B4D COA 4.09357
43 2ZOF BES 4.16667
44 1XF1 CIT 4.31965
45 5F1V 3VN 4.3771
46 6CZY PMP 4.48718
47 3FAL REA 4.54545
48 2J5B TYE 4.80769
49 3HMO STU 4.80769
50 2J9L ATP 4.86486
51 3RET PYR 4.9505
52 6GKV F2W 5.12821
53 1E5Q SHR 5.12821
54 3B9Q MLI 5.29801
55 1Z82 G3H 5.44872
56 1Z82 G3P 5.44872
57 4R3U 5AD 5.6962
58 5IM3 DTP 5.76923
59 3ZSN MIV 5.76923
60 2J9D AMP 5.88235
61 5XVH TLA 6.20915
62 3WCS MAN NAG 6.29921
63 2UXR ICT 6.41026
64 2JFV FLC 6.87285
65 1DQX BMP 7.86517
66 3B1Q NOS 8.01282
67 1CY2 TMP 8.65385
68 2HW1 FRU 8.72483
69 6APL C5P 8.97436
70 1H5R THM 9.21502
71 1YYE 196 9.32836
72 3K8D KDO 9.4697
73 3TDH AMP 9.9359
74 2XN3 ID8 10
75 3ZKN WZV 10.4072
76 4YEE 4CQ 11.1111
77 1QSN COA 11.1111
78 1JBU BEN 12.6984
79 1I7M CG 19.403
80 5ZCO PGV 24.4898
81 5ABX MGP 29.2683
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