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Receptor
PDB id Resolution Class Description Source Keywords
1RJW 2.35 Å EC: 1.1.1.1 CRYSTAL STRUCTURE OF NAD(+)-DEPENDENT ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS STRAIN LLD-R GEOBACILLUS STEAROTHERMOPHILUS OXIDOREDUCTASE NAD ZINC ALCOHOL DEHYDROGENASE TETRAMER
Ref.: CRYSTAL STRUCTURE AND AMIDE H/D EXCHANGE OF BINARY COMPLEXES OF ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS: INSIGHT INTO THERMOSTABILITY AND COFACTOR BINDING BIOCHEMISTRY V. 43 5266 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ETF A:501;
A:607;
B:501;
B:603;
B:605;
B:606;
C:501;
C:604;
C:609;
D:501;
D:601;
D:602;
D:608;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
100.04 C2 H3 F3 O C(C(F...
ZN A:401;
A:402;
B:401;
B:402;
C:401;
C:402;
D:401;
D:402;
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
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RJW 2.35 Å EC: 1.1.1.1 CRYSTAL STRUCTURE OF NAD(+)-DEPENDENT ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS STRAIN LLD-R GEOBACILLUS STEAROTHERMOPHILUS OXIDOREDUCTASE NAD ZINC ALCOHOL DEHYDROGENASE TETRAMER
Ref.: CRYSTAL STRUCTURE AND AMIDE H/D EXCHANGE OF BINARY COMPLEXES OF ALCOHOL DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS: INSIGHT INTO THERMOSTABILITY AND COFACTOR BINDING BIOCHEMISTRY V. 43 5266 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1RJW - ETF C2 H3 F3 O C(C(F)(F)F....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4GKV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1RJW - ETF C2 H3 F3 O C(C(F)(F)F....
3 1LLU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4GKV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 6FFZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3JV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5O9D - 9ON C6 H10 O4 C[C@@H](CC....
5 6FFX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 5O8Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5O8H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 5O9F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1RJW - ETF C2 H3 F3 O C(C(F)(F)F....
10 4W6Z Ki = 2.8 mM ETF C2 H3 F3 O C(C(F)(F)F....
11 1LLU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1H2B - OCA C8 H16 O2 CCCCCCCC(=....
13 3WLE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1R37 Kd = 0.66 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ETF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ETF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RJW; Ligand: ETF; Similar sites found with APoc: 199
This union binding pocket(no: 1) in the query (biounit: 1rjw.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2WXD E18 1.17994
2 4DEC UDP 1.47493
3 4DEC 3PG 1.47493
4 2PI8 NAG NAG NAG NAG NAG NAG 1.47493
5 3CKJ CIT 1.51976
6 4DFU QUE 1.5528
7 5VC5 96M 1.7301
8 5G48 1FL 1.76991
9 5TSH ANP 1.76991
10 4QLX KTC 1.82648
11 4QLX FMN 1.82648
12 3W2E FAD 1.84502
13 3W2E NAD 1.84502
14 2X2M X2M 1.91083
15 5UR1 YY9 1.92926
16 2G30 ALA ALA PHE 1.93798
17 6EOZ 58K 1.94805
18 6EOZ AKG 1.94805
19 5HES 032 1.9544
20 4S28 SAH 2.0649
21 4S28 AIR 2.0649
22 1E8G FCR 2.0649
23 5B3A 0JO 2.0649
24 4WHZ 3NL 2.0649
25 4NS3 NAD 2.0649
26 5LX6 78P 2.09424
27 6GQM F8H 2.13415
28 5H2U 1N1 2.24719
29 3P7N FMN 2.32558
30 1E1O LYS 2.35988
31 3JU6 ANP 2.35988
32 4WOE ADP 2.35988
33 4MIB 28M 2.35988
34 3GZ8 APR 2.46914
35 1PN4 HDC 2.5
36 1SDW IYT 2.54777
37 1QX4 FAD 2.55474
38 2J7T 274 2.64901
39 5UBG PRT 2.65487
40 2OBD PCW 2.65487
41 3R5Y F42 2.72109
42 5HZX 2GE 2.84091
43 3QSB 743 2.94985
44 3T4L ZEA 2.96296
45 1ZDQ MSM 2.97619
46 3BL7 DD1 2.99003
47 2AG4 LP3 3.04878
48 2AG4 OLA 3.04878
49 2II3 CAO 3.05344
50 3G5D 1N1 3.14685
51 4O12 2QG 3.19361
52 2HSA FMN 3.24484
53 2QZX IVA VAL VAL STA ALA STA 3.24484
54 3DOO SKM 3.2491
55 4CSV STI 3.27273
56 1I7M CG 3.37079
57 4WUJ FMN 3.40136
58 5YAK FMN 3.40909
59 3UEC ALA ARG TPO LYS 3.42466
60 4J25 OGA 3.49345
61 2TPI ILE VAL 3.49345
62 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 3.50195
63 6D6L FY4 3.52941
64 5TVF CGQ 3.52941
65 1EWF PC1 3.53982
66 5L2R MLA 3.53982
67 5L9V OGA 3.57143
68 5OX6 A1Z 3.57143
69 4YBN FAD 3.57143
70 5G41 AP5 3.58744
71 3HQR OGA 3.65854
72 1ZIN AP5 3.68664
73 3FB4 AP5 3.7037
74 1S4M LUM 3.75427
75 2C7G FAD 3.83481
76 2C7G ODP 3.83481
77 3WG3 A2G GAL NAG FUC 3.93258
78 5G3Y ADP 3.9823
79 4EWH T77 4
80 2GPT SKM 4.0153
81 3DZ6 M8E 4.11985
82 2E1T MLC 4.12979
83 4BG4 ADP 4.12979
84 3RHJ NAP 4.12979
85 4B2Z P5S 4.12979
86 5Y4R C2E 4.13793
87 4G6I RS3 4.28571
88 2X34 UQ8 4.41989
89 5XLY C2E 4.51128
90 1EP2 FAD 4.5977
91 3CU0 UDP 4.62633
92 3CU0 GAL GAL SO4 4.62633
93 4X8O AP5 4.6729
94 2GVJ DGB 4.71976
95 1PS9 FMN 4.71976
96 3EPO MP5 4.71976
97 2YOO K2B 4.71976
98 1VA6 ADP 4.71976
99 1VA6 P2S 4.71976
100 4OE4 NAD 4.71976
101 4BVA T3 4.77612
102 5C5T AKG 4.82456
103 4R38 RBF 5
104 4PXL NAD 5.01475
105 5L13 6ZE 5.01475
106 4G31 0WH 5.01672
107 5VM6 9EG 5.10949
108 4USI ATP 5.19481
109 6FA4 D1W 5.20231
110 1QAW TRP 5.40541
111 4KBA 1QM 5.43807
112 5MJA 7O3 5.57377
113 5HPZ 68G 5.58659
114 4XPQ FUL 5.60472
115 3IS2 FAD 5.84416
116 4JJF FE9 6.19469
117 2GU8 796 6.23145
118 4MKG AP5 6.45161
119 2ZBA ZBA 6.48968
120 5TUF TDC 6.48968
121 5TUF FAD 6.48968
122 5SVV FMN 6.56934
123 6CEN ACE GLY VAL NLE ARG ILE NH2 6.57895
124 3DZT EAH 6.60066
125 5DQ8 FLF 6.66667
126 3OYW TDG 6.71642
127 5O0B 9FE 6.79012
128 4KOT CE3 6.79012
129 4KS7 X4Z 6.84932
130 4U0I 0LI 6.98413
131 5NIU 8YZ 7.03125
132 2IV2 MGD 7.07965
133 2H8H H8H 7.07965
134 1V9A SAH 7.11297
135 5D48 L96 7.23684
136 5N2F 8HW 7.25806
137 5X3R 7Y3 7.31707
138 3PPM JG1 7.32984
139 6BHV DQV 7.38007
140 2JIG PD2 7.58929
141 3VZ3 NAP 7.66962
142 3VZ3 SSN 7.66962
143 5JKG 6LF 7.71704
144 5JCA FAD 7.80591
145 3TCT 3MI 7.87402
146 5HI5 63Q 8.01688
147 6C99 EQY 8.08081
148 4TWP AXI 8.11808
149 4AG8 AXI 8.22785
150 1N9L FMN 8.25688
151 4Y24 TD2 8.44156
152 1QKQ MAN 8.4507
153 2RCU BUJ 8.55457
154 3EM0 CHD 8.69565
155 1NJF AGS 8.8
156 4YRY NAD 8.84956
157 4YRY FAD 8.84956
158 5H9P TD2 8.86076
159 2HK9 SKM 9.09091
160 3A5Y KAA 9.14454
161 1KQB FMN 9.21659
162 1KQB BEZ 9.21659
163 3QH2 3NM 9.50226
164 4NU0 AP5 9.67742
165 2Y8L ADP 9.69697
166 5MRH Q9Z 9.73451
167 5NKN LOC 9.77011
168 5L83 ASP TRP GLU ILE VAL 9.82143
169 5ALC TIQ 9.82906
170 2EQA AMP 10.0295
171 3VBK 0FX 10.7317
172 3VBK COA 10.7317
173 3RUG DB6 11.1111
174 4X6F 3XU 11.3879
175 3E9I XAH 11.5044
176 3GD9 GLC BGC BGC BGC 11.5044
177 3H0L ADP 11.7021
178 4PAB THG 11.7994
179 4MKF AP5 11.9816
180 5ODY 9SK 12.3188
181 1RV1 IMZ 12.9412
182 1BC5 ACE ASN TRP GLU THR PHE 13.0112
183 2Y6O 1N1 13.4021
184 3QXV MTX 13.4921
185 1P7T ACO 13.5693
186 1V3S ATP 13.7931
187 4WVO 3UZ 13.8122
188 3R5Z F42 15.1724
189 2D37 FMN 15.3409
190 2D37 NAD 15.3409
191 2EV9 SKM 16.3498
192 2EV9 NAP 16.3498
193 4PTZ FMN 22.5131
194 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 22.9885
195 1NFS DED 23.4973
196 2HKA C3S 25.3846
197 2VPE ALA ARG THR MLY GLN THR ALA 34.375
198 2P1O IHP 38.4615
199 2P1O NLA 38.4615
Pocket No.: 2; Query (leader) PDB : 1RJW; Ligand: ETF; Similar sites found with APoc: 135
This union binding pocket(no: 2) in the query (biounit: 1rjw.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 6BA2 7KM 1.69492
2 3PXP MYR 1.71233
3 2I6A 5I5 1.76991
4 2DRC MTX 1.88679
5 3U2U UDP 1.90114
6 3C88 ARG ARG GLY CYS NH2 2.0649
7 5V3Y 5V8 2.0979
8 1D2N ANP 2.20588
9 1DFO PLG 2.35988
10 4IVG ANP 2.35988
11 5G61 FNY 2.35988
12 3CLH NAD 2.35988
13 4AVB ACO 2.4024
14 5GUE GGS 2.41692
15 3B6O TMP 2.42915
16 2CNT COA 2.5
17 1YRE COA 2.53807
18 1PG4 COA 2.65487
19 1PG4 PRX 2.65487
20 5ERG SAM 2.65487
21 3KJS DQ1 2.65487
22 1YKD CMP 2.65487
23 2WKT COA 2.65487
24 1XKD ICT 2.65487
25 4A1O AMZ 2.65487
26 4RI1 ACO 2.68817
27 4I42 1HA 2.80702
28 4NV0 MG7 2.82132
29 1DL5 SAH 2.83912
30 4P53 NAI 2.94985
31 3OJF IMJ 3.11284
32 3OJF NDP 3.11284
33 2JHP SAH 3.24484
34 4FC7 NAP 3.2491
35 4FC7 COA 3.2491
36 5HGZ ACO 3.29218
37 1U3R 338 3.3195
38 3C8Z 5CA 3.53982
39 5W7Q GDP 3.53982
40 6EDV COA 3.60825
41 3TO7 COA 3.62319
42 4DP3 MMV 3.83481
43 4DP3 NDP 3.83481
44 4Y9J UCC 3.83481
45 4Y9J FAD 3.83481
46 3U6B GDP 3.83481
47 3U6K GDP 3.83481
48 4PC3 GDP 3.83481
49 5JBQ GDP 3.83481
50 1W6K LAN 3.83481
51 1D8T GDP 3.83481
52 5K7K 6RJ 3.83481
53 1J3I NDP 3.96341
54 1XSE NDP 4.0678
55 4ITU 1HS 4.08922
56 4ZXF 4S7 4.12979
57 5YS9 FAD 4.12979
58 4QIJ 1HA 4.19162
59 2WE5 ADP 4.19355
60 4LZJ 22H 4.29043
61 3LDW IPE 4.42478
62 3DJF BC3 4.52962
63 1I36 NAP 4.54545
64 2YIV YIV 4.57317
65 1IK4 PGH 4.60526
66 2BL9 NDP 4.62185
67 2BL9 CP6 4.62185
68 2GQ2 NAP 4.65116
69 4UA3 COA 4.71976
70 3R96 ACO 4.78723
71 3R96 AMP 4.78723
72 4P3Y GDP 4.94506
73 4EIL NDP 5.01475
74 5Z7B VNL 5.05051
75 5B0I BOG 5.24781
76 2ZMF CMP 5.29101
77 4DXJ 0M9 5.30973
78 3T1O GDP 5.55556
79 4XQC 13D 5.60472
80 5G5G FAD 5.60472
81 2D4V FLC 5.60472
82 4KVX ACO 5.76923
83 2B4D COA 5.84795
84 4CNK FAD 5.8997
85 1R5L VIV 6.10687
86 4QC6 30N 6.14525
87 2FT0 ACO 6.38298
88 1MMQ RRS 6.47059
89 2EFE GNH 6.62983
90 5CX6 CDP 6.78466
91 1DR1 NAP 6.87831
92 1DR1 HBI 6.87831
93 1P0H COA 6.91824
94 5TPR NAD 7.07965
95 3TEG DAH 7.07965
96 4IPE ANP 7.66962
97 1F0X FAD 8.23117
98 2PT9 S4M 8.41121
99 2PT9 2MH 8.41121
100 4OYA 1VE 8.55457
101 4RHE FMN 9.09091
102 4DVE BTN 9.09091
103 5MZY 8EZ 9.67742
104 6DQU GLY ILE ILE ASN THR LEU 9.73451
105 5Y9D FAD 9.73451
106 2W9S NDP 9.93789
107 3CH6 NAP 10.1399
108 3CH6 311 10.1399
109 3ZV6 4HB 10.3203
110 3ZV6 NAD 10.3203
111 5YVT NAI 10.3245
112 5GVL PLG 10.3245
113 5GVL GI8 10.3245
114 5AB7 MLC 10.9145
115 1TIQ COA 11.1111
116 5GP0 GPP 11.4094
117 4EHQ GBL 11.4865
118 4K26 SFF 11.5942
119 4KM2 ATR 12.2905
120 4KM2 TOP 12.2905
121 3WR7 COA 12.3529
122 1HDC CBO 12.9921
123 1NV8 SAM 13.0282
124 1NV8 MEQ 13.0282
125 2GJ8 ALF GDP 13.3721
126 2CIG 1DG 13.8365
127 3AFH GSU 14.7493
128 3WXM GTP 15.3392
129 1XXA ARG 15.3846
130 4I4Z 2NE 16
131 3ZJ0 ACO 20.8738
132 6BKL RIM 25.9259
133 6BKL EU7 25.9259
134 5GK9 ACO 28
135 3GFB NAD 45.1327
Pocket No.: 3; Query (leader) PDB : 1RJW; Ligand: ETF; Similar sites found with APoc: 741
This union binding pocket(no: 3) in the query (biounit: 1rjw.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1JYQ MAZ PTR PTM ASN None
2 1S4P MMA 0.884956
3 1S4P GDP 0.884956
4 4ITH RCM 1.02041
5 6AIN FAD 1.47493
6 4MOP 2H5 1.47493
7 1EBF NAD 1.47493
8 2IID FAD 1.47493
9 2IID PHE 1.47493
10 2C29 NAP 1.48368
11 2C29 DQH 1.48368
12 5EJ2 NAD 1.62338
13 3GRU AMP 1.69492
14 6B92 SAH 1.70068
15 1RP0 AHZ 1.76056
16 2BYS LOB 1.76211
17 5JY6 NAD 1.76991
18 1G55 SAH 1.76991
19 2RGJ FAD 1.76991
20 5TS5 FAD 1.76991
21 3NTA FAD 1.76991
22 6EL3 NAP 1.76991
23 6CEP NAD 1.79641
24 5IBP ACE ASP GLU VAL ASP 0QE 1.79856
25 4ZVV GN0 1.80723
26 4ZVV NAD 1.80723
27 1NW4 IMH 1.81159
28 6EQS BV8 1.81818
29 2CVQ NDP 1.83486
30 1M5B BN1 1.90114
31 1FND A2P 1.91083
32 1FND FAD 1.91083
33 1Q0S SAH 1.9305
34 1DJL NAP 1.93237
35 3KVY URA 1.94175
36 1XTP SAI 1.9685
37 2O07 MTA 1.97368
38 2O07 SPD 1.97368
39 3SSO SAH 2.0649
40 5JWC FAD 2.0649
41 2VVL FAD 2.0649
42 2VVM FAD 2.0649
43 1V5F FAD 2.0649
44 1V5F TPP 2.0649
45 4ZGS NAD 2.0649
46 4U8P UDP 2.0649
47 4U8P FDA 2.0649
48 1REO FAD 2.0649
49 1O0S NAI 2.0649
50 2X6T NAP 2.0649
51 4XYB NDP 2.0649
52 3T31 FAD 2.0649
53 3T31 DCQ 2.0649
54 1C0I FAD 2.0649
55 1C0I BE2 2.0649
56 1Q1R FAD 2.0649
57 5BUK FAD 2.0649
58 3X0V FAD 2.0649
59 1J0X NAD 2.10843
60 1K27 MTM 2.12014
61 5MIT FAD 2.14067
62 5MIT NAP 2.14067
63 3FPZ AHZ 2.14724
64 2CDU ADP 2.21239
65 2CDU FAD 2.21239
66 5BW4 SAM 2.24719
67 5DM1 SAH 2.24719
68 5DM1 5D7 2.24719
69 3HVJ 705 2.26244
70 4HVA 4HV 2.26415
71 4R57 ACO 2.27273
72 4WUP 3UF 2.30769
73 3P0F BAU 2.3569
74 5YU3 PRO 2.35988
75 5YU3 NAD 2.35988
76 4JDR FAD 2.35988
77 4X9M FAD 2.35988
78 6C4N NAP 2.35988
79 1GET NAP 2.35988
80 1GET FAD 2.35988
81 3ICS ADP 2.35988
82 6A3J SOE 2.35988
83 6A3J NAI 2.35988
84 5ZYN FAD 2.35988
85 2EG5 SAH 2.35988
86 1GPE FAD 2.35988
87 4EUE NAI 2.35988
88 1GQ2 NAP 2.35988
89 6IS0 SAH 2.35988
90 3ICS FAD 2.35988
91 5VN0 FAD 2.35988
92 4AAW R84 2.35988
93 5VN0 NAI 2.35988
94 3HKW IX6 2.35988
95 3KLJ FAD 2.35988
96 5BRT CH9 2.35988
97 5BRT FAD 2.35988
98 4L8V NAP 2.37389
99 3C2O NTM 2.38095
100 4YCA NDP 2.38095
101 1JQD SAH 2.39726
102 1IIM TTP 2.39726
103 1JQD HSM 2.39726
104 2Q1W NAD 2.4024
105 5NUF NAD 2.40964
106 5NUE NAD 2.40964
107 6GAS FAD 2.41692
108 5Z75 NAD 2.44648
109 2Q7V FAD 2.46154
110 4QAR ADE 2.48756
111 5TV6 PML 2.5
112 4YMH SAH 2.5
113 1EZ4 NAD 2.51572
114 3RGG AIR 2.51572
115 3JQQ A2P 2.53165
116 1KYQ NAD 2.55474
117 1ZOS MTM 2.6087
118 3LGS ADE 2.62172
119 3LGS SAH 2.62172
120 1GR0 NAD 2.65487
121 2HQM FAD 2.65487
122 2WET FAD 2.65487
123 1E1M FAD 2.65487
124 1E1M NAP 2.65487
125 3WGT FAD 2.65487
126 3WGT QSC 2.65487
127 2ZJ1 ARJ 2.65487
128 4OPC PGT 2.65487
129 4OPC FDA 2.65487
130 2ZXI FAD 2.65487
131 2ZJ1 NAD 2.65487
132 1ORR NAD 2.65487
133 4D7E FAD 2.65487
134 3L9W AMP 2.65487
135 3L9W FMN 2.65487
136 2YNE YNE 2.65487
137 2YNE NHW 2.65487
138 5A07 GDP 2.65487
139 1ZED PNP 2.65487
140 5K04 COA 2.65487
141 4ZCC FAD 2.67857
142 4ZCC NAI 2.67857
143 5OFW 9TW 2.69058
144 2NXE SAM 2.75591
145 5ETJ IM5 2.77778
146 3G89 SAM 2.81124
147 5J60 FAD 2.8125
148 1BOB ACO 2.8125
149 2DT5 NAD 2.8436
150 2OFV 242 2.88809
151 1EQ2 NAP 2.90323
152 3MAG SAH 2.9316
153 1A69 FMB 2.94118
154 3OND ADN 2.94985
155 3OND NAD 2.94985
156 1RM0 NAI 2.94985
157 1RM0 D6P 2.94985
158 2V3V MGD 2.94985
159 1UP7 NAD 2.94985
160 1DMR PGD 2.94985
161 2VTD LKM 2.94985
162 1TMO 2MD 2.94985
163 4ZH7 FUC GAL NAG GAL FUC 2.94985
164 3GDN FAD 2.94985
165 3GDN HBX 2.94985
166 2NVK FAD 2.94985
167 3GWZ SAH 2.94985
168 2NP9 YE1 2.94985
169 3OZ2 FAD 2.94985
170 1YP4 ADP 2.94985
171 3UH0 TSB 2.94985
172 1P3D UMA 2.94985
173 4E70 N7I 2.94985
174 3FUU ADN 2.95203
175 4YUW S4M 2.96053
176 4YUW 4JU 2.96053
177 4LAE NAP 2.99401
178 4LAE 1VM 2.99401
179 2JAR UMP 3
180 2XNJ NAP 3.00752
181 3MCT SAH 3.0303
182 1B8U OAA 3.03951
183 1B8U NAD 3.03951
184 3GLC R5P 3.05085
185 2QIA U20 3.05344
186 5N53 8NB 3.07692
187 3IA4 MTX 3.08642
188 4TXI FAD 3.08943
189 1E6E FAD 3.125
190 3OA2 NAD 3.14465
191 1LDN NAD 3.16456
192 4E13 NAD 3.18021
193 3O9Z NAD 3.20513
194 3O9Z AKG 3.20513
195 1Y8Q ATP 3.24484
196 4RSL FAD 3.24484
197 1V8B NAD 3.24484
198 5J5Z FAD 3.24484
199 1XHC FAD 3.24484
200 3CGD FAD 3.24484
201 1XDS SAM 3.24484
202 3CGD COA 3.24484
203 3CGD NAD 3.24484
204 1EU1 MGD 3.24484
205 5TUK FAD 3.24484
206 1QZZ SAM 3.24484
207 4DSG UDP 3.24484
208 4DSG FAD 3.24484
209 4C3Y ANB 3.24484
210 4C3Y FAD 3.24484
211 2Y6Q I7T 3.24484
212 2Y6Q FAD 3.24484
213 1RY2 AMP 3.24484
214 4C4A SAH 3.24484
215 2VT3 ATP 3.25581
216 2BSA NAP 3.30033
217 2BSA FAD 3.30033
218 1UAY ADN 3.30579
219 5F7N NAG GAL FUC FUC A2G 3.33333
220 5F7Y GLC GAL NAG GAL FUC A2G 3.33333
221 3G2O SAM 3.34448
222 4L50 D8X 3.38346
223 5UAV TFB 3.41615
224 5UAV NDP 3.41615
225 2FK8 SAM 3.45912
226 1EB1 ZAL PRO MMO 3.50195
227 4AX9 N5N 3.50195
228 1ZQ9 SAM 3.50877
229 2Q1S NAI 3.53982
230 3NDJ JHZ 3.53982
231 3NDJ SAH 3.53982
232 1ZK7 FAD 3.53982
233 2Z3Y F2N 3.53982
234 6C5B SAH 3.53982
235 3ZNN FAD 3.53982
236 3ZNN 4WL 3.53982
237 6C8R SAH 3.53982
238 2XA2 UPG 3.53982
239 6C8R EQV 3.53982
240 1GV0 NAD 3.54839
241 1DAK ADP 3.57143
242 1DAK DPU 3.57143
243 2RH4 EMO 3.61011
244 5L4L 7OX 3.61842
245 4E5N NAD 3.63636
246 4PNE SAH 3.64238
247 3GEG NAD 3.64372
248 3EUF BAU 3.65854
249 2O4C NAD 3.68421
250 4PIO AVI 3.71517
251 1OMO NAD 3.72671
252 3AYI FAD 3.7448
253 3AYI HCI 3.7448
254 4CNE SAH 3.74532
255 2BRY FAD 3.82294
256 1ODJ GMP 3.82979
257 3DAG FEG 3.83481
258 4RVG TYD 3.83481
259 4RVG SAM 3.83481
260 5Z20 NAI 3.83481
261 1KQF MGD 3.83481
262 2RGO FAD 3.83481
263 1Q9I TEO 3.83481
264 1Q9I FAD 3.83481
265 2RGH FAD 3.83481
266 3TKY SAH 3.83481
267 1FP1 SAH 3.83481
268 2EJU SAH 3.83481
269 5HXI FAD 3.83481
270 3GMB FAD 3.83481
271 4YNU FAD 3.83481
272 4YNU LGC 3.83481
273 1FP2 HMO 3.83481
274 5J7X FAD 3.83481
275 4G5H UD7 3.83481
276 4G5H NAP 3.83481
277 1FP2 SAH 3.83481
278 1R27 MGD 3.83481
279 6F4W FMC 3.86266
280 6ACS CIT 3.87597
281 2CUL FAD 3.87931
282 2F1K NAP 3.94265
283 5KF9 ACO 3.96341
284 1VMK GUN 3.97112
285 4BMX ADE 3.98406
286 4WKC BIG 4.08163
287 2WPF FAD 4.12979
288 1FEC FAD 4.12979
289 2WPF WPF 4.12979
290 5EZ7 FAD 4.12979
291 1X7D NAD 4.12979
292 1X7D ORN 4.12979
293 2YVF FAD 4.12979
294 2YVF NAD 4.12979
295 1V59 NAD 4.12979
296 2DKH FAD 4.12979
297 2DKH 3HB 4.12979
298 5GSN NAP 4.12979
299 5GSN MMZ 4.12979
300 4TM3 FAD 4.12979
301 5GSN FAD 4.12979
302 1XVV CCQ 4.12979
303 5O0J GLC 4.12979
304 1H5Q NAP 4.15094
305 3V1Y NAD 4.1543
306 4FFS BIG 4.1841
307 4FZV SAM 4.1841
308 1H0H 2MD 4.20561
309 1H0H MGD 4.20561
310 3I53 SAH 4.21687
311 4ELG 52J 4.21687
312 1Z34 2FD 4.25532
313 6C5F 7L9 4.2735
314 3DFR MTX 4.32099
315 3PA8 621 4.33071
316 4DA6 GA2 4.34783
317 5JFT ACE ASP GLU VAL ASP 0QE 4.41767
318 6F3N NAD 4.42478
319 6F3N ADN 4.42478
320 6F3M NAD 4.42478
321 4M52 M52 4.42478
322 4M52 FAD 4.42478
323 2A8X FAD 4.42478
324 2RAB NAD 4.42478
325 5I39 FAD 4.42478
326 2RAB FAD 4.42478
327 5TTJ FAD 4.42478
328 5EEH SAH 4.42478
329 5EEH P9P 4.42478
330 4XZ3 COA 4.42478
331 4YDD MD1 4.42478
332 4YDD MGD 4.42478
333 1RYI FAD 4.42478
334 1RYI GOA 4.42478
335 5HTX ADP 4.42478
336 4XYM COA 4.42478
337 1H65 GDP 4.44444
338 2AQJ TRP 4.46097
339 2AQJ FAD 4.46097
340 5D4V SAH 4.47761
341 3KB6 NAD 4.49102
342 5VEG FMN 4.49438
343 4B5P ACO 4.5
344 2Q0L FAD 4.50161
345 1J49 NAD 4.5045
346 1GUZ NAD 4.51613
347 5TBS ADE 4.52962
348 1PZG A3D 4.53172
349 2DTX BMA 4.54545
350 1LDM NAD 4.55927
351 2HJR APR 4.57317
352 1B8O IMH 4.57746
353 2YVJ NAI 4.58716
354 2E7Z MGD 4.71976
355 3Q3C NAD 4.71976
356 2NPX NAD 4.71976
357 1ZGA SAH 4.71976
358 1KYZ SAH 4.71976
359 3ML1 MGD 4.71976
360 3H9E NAD 4.71976
361 4Z24 FAD 4.71976
362 4A6D SAM 4.71976
363 5E72 SAM 4.71976
364 3QJ4 FAD 4.71976
365 2IXB A2G 4.71976
366 2IXB NAD 4.71976
367 2NPX FAD 4.71976
368 5EOW FAD 4.71976
369 5K3W PLP 4.71976
370 1KYZ FER 4.71976
371 6GWR FEW 4.7619
372 3O03 NAP 4.811
373 2A8Y MTA 4.81482
374 1NJR XYL 4.92958
375 5JE8 NAD 4.96689
376 1OBB NAD 5.01475
377 5DN9 NAD 5.01475
378 5U8U FAD 5.01475
379 1I8T FAD 5.01475
380 2GMH FAD 5.01475
381 3SQP FAD 5.01475
382 1HKU NAD 5.01475
383 3GF4 FAD 5.01475
384 1MO9 FAD 5.01475
385 5YB7 FAD 5.01475
386 5YB7 ORN 5.01475
387 1MO9 KPC 5.01475
388 2V6G NAP 5.01475
389 3GF4 UPG 5.01475
390 5KVA SAM 5.03597
391 3WV8 ATP 5.04587
392 5GM1 SAH 5.05051
393 3ZLR X0B 5.06329
394 1JQ3 AAT 5.06757
395 1JE1 GMP 5.08475
396 6FDF SAH 5.08982
397 1DSS NAD 5.1051
398 3ZF8 GDP 5.2459
399 1VM6 NAD 5.26316
400 1WG8 SAM 5.26316
401 4YT4 FE9 5.30973
402 3UOY NAP 5.30973
403 3UOY FAD 5.30973
404 3HDY FAD 5.30973
405 3HDY GDU 5.30973
406 5ZI2 ADP 5.30973
407 1H82 FAD 5.30973
408 3NTD FAD 5.30973
409 1H82 GZZ 5.30973
410 5ZI2 NAD 5.30973
411 3HDY FDA 5.30973
412 4USR FAD 5.30973
413 5F7J ADE 5.3125
414 1N2X SAM 5.31561
415 2AG8 NAP 5.32319
416 1LTH NAD 5.32915
417 1BO4 COA 5.35714
418 2AE2 PTO 5.38462
419 2AE2 NAP 5.38462
420 4UUG PXG 5.42169
421 5IKB KAI 5.44747
422 5IFK HPA 5.44872
423 3LST SAH 5.45977
424 1HYH NAD 5.50162
425 3WG6 NDP 5.53746
426 4RDI ATP 5.55556
427 4RDH AMP 5.55556
428 5LOG SAH 5.5794
429 5TOW ADN 5.60472
430 5TOW NAI 5.60472
431 4XQC NAD 5.60472
432 5JCM FAD 5.60472
433 5JCM ISD 5.60472
434 5JCM NAD 5.60472
435 5TWB FAD 5.60472
436 2BO4 FLC 5.60472
437 4J36 1HR 5.60472
438 4J36 FAD 5.60472
439 1UWK URO 5.60472
440 1UWK NAD 5.60472
441 5HSA FAS 5.60472
442 3X0D SAH 5.60472
443 5T67 JHZ 5.60472
444 5T67 SAH 5.60472
445 3KJD 78P 5.60472
446 4KGD TDP 5.60472
447 4KGD FAD 5.60472
448 2IVF MD1 5.60748
449 2IVF MGD 5.60748
450 1F3L SAH 5.60748
451 4NAT ADP 5.625
452 4NAT 2W5 5.625
453 3BL6 FMC 5.65217
454 9LDT NAD 5.72289
455 9LDB NAD 5.72289
456 1U7T TDT 5.74713
457 5Y8L NAD 5.76271
458 5Y8L HUI 5.76271
459 5O4J 9KH 5.83942
460 5O4J SAH 5.83942
461 5O4J PJL 5.83942
462 5O42 NAD 5.83942
463 5O42 BGC 5.83942
464 5O42 9JW 5.83942
465 1VKF CIT 5.85106
466 2HNK SAH 5.85774
467 5YAP 8S0 5.8997
468 5YAP NAI 5.8997
469 1LVL NAD 5.8997
470 2B4R NAD 5.8997
471 5UR0 NAD 5.8997
472 1NVM NAD 5.8997
473 2VPY MGD 5.8997
474 2B4R AES 5.8997
475 3GE7 AFQ 5.8997
476 4AP3 NAP 5.8997
477 4AP3 FAD 5.8997
478 4D5G FAD 5.8997
479 4D5G TPP 5.8997
480 1T26 NAI 5.90062
481 1T26 GBD 5.90062
482 2A92 NAI 5.919
483 1SL3 170 5.92335
484 2H9E DTY ILE ARG LEU LPD 5.95238
485 1JNR FAD 6
486 1EFV FAD 6.03175
487 1EFV AMP 6.03175
488 1CER NAD 6.0423
489 4ZRN UPG 6.08974
490 4ZRN NAD 6.08974
491 1EJ0 SAM 6.11111
492 3VPH OXM 6.12903
493 3VPH NAD 6.12903
494 4D79 ATP 6.15942
495 2AOT SAH 6.16438
496 3HAD NAD 6.16883
497 4OXX FMN 6.17284
498 4J4H 1J1 6.17761
499 4J4H NAI 6.17761
500 4JK3 NAD 6.17761
501 3NJ4 NAD 6.19469
502 4JJF N2I 6.19469
503 1ELI PYC 6.19469
504 2EFJ SAH 6.19469
505 1GTE FAD 6.19469
506 6ECT SAM 6.23053
507 3R5J ACE ALA ASP VAL ALA ASA 6.25
508 6BQ6 TER 6.34441
509 4EA7 COA 6.36364
510 4EA7 JB2 6.36364
511 3GGO NAI 6.36943
512 4B74 1LH 6.45646
513 1IYE PGU 6.47249
514 4EDF UPG 6.48968
515 5MM0 GDD 6.48968
516 4J56 FAD 6.48968
517 4KRI SAH 6.48968
518 4WKB TDI 6.55738
519 3CMC NAD 6.58683
520 4Z0H NAD 6.58683
521 1U1F 183 6.64062
522 4YJK URA 6.74603
523 2VHW NAI 6.78466
524 1COY FAD 6.78466
525 1COY AND 6.78466
526 3AB1 FAD 6.78466
527 1RSG FAD 6.78466
528 4EIP FAD 6.78466
529 5BVA FAD 6.78466
530 1YY5 FAD 6.78466
531 5KVS NAP 6.78466
532 5KVS 6XR 6.78466
533 3B20 NAD 6.78466
534 2D2I NAP 6.78466
535 4EMJ FAD 6.78466
536 4EMI FAD 6.78466
537 4EMI NAD 6.78466
538 4L2I FAD 6.84411
539 4L2I NAD 6.84411
540 3L4S NAD 6.84524
541 3L4S 3PG 6.84524
542 1SAY PYR 6.92521
543 2PV7 NAD 7.04698
544 2TPS TPS 7.04846
545 5KKA 6V0 7.05128
546 4GLJ RHB 7.07071
547 5LD5 NAD 7.07965
548 1K3T BRZ 7.07965
549 3OJO NAD 7.07965
550 5Z21 NAI 7.07965
551 2R4J FAD 7.07965
552 2R4J 13P 7.07965
553 2IV2 2MD 7.07965
554 1F20 NAP 7.07965
555 3QFS FAD 7.07965
556 3QFS NAP 7.07965
557 1TLL NAP 7.07965
558 5FA6 NAP 7.07965
559 5FA6 FMN 7.07965
560 5FA6 FAD 7.07965
561 1QFY FAD 7.14286
562 1QFY NAP 7.14286
563 3H8V ATP 7.19178
564 1HDG NAD 7.22892
565 4II2 ATP 7.22892
566 1ZEM NAD 7.25191
567 5A3B APR 7.26073
568 4D04 NAP 7.37463
569 4D04 FAD 7.37463
570 4REP FAD 7.37463
571 3CRZ NAP 7.393
572 3BJE URA 7.44986
573 2VYN NAD 7.55287
574 5UFN SAH 7.56302
575 1GAD NAD 7.57576
576 5XXS COA 7.57576
577 2ZEJ GDP 7.6087
578 1MUU NAD 7.66962
579 1MV8 NAD 7.66962
580 1U1I NAD 7.66962
581 1D1G MTX 7.7381
582 2B3D FAD 7.84314
583 3KJQ B94 7.92683
584 3LAD FAD 7.9646
585 3CIF NAD 7.9646
586 3CIF G3H 7.9646
587 2GV8 NDP 7.9646
588 2GVC FAD 7.9646
589 2GV8 FAD 7.9646
590 6F9Q NAD 8.08823
591 2J0B UDP 8.21429
592 1DJN ADP 8.25959
593 1HV9 UD1 8.25959
594 1G8K MGD 8.27068
595 3U31 NAD 8.27586
596 2ANM CDO 8.33333
597 1KPG SAH 8.36237
598 3P2E SAH 8.44444
599 1FWY UD1 8.45921
600 1A5Z NAD 8.46395
601 5CLO NS8 8.47458
602 3KIF GDL 8.49057
603 3QV1 NAD 8.53659
604 5VW2 FDA 8.5443
605 5VW2 NAP 8.5443
606 1X14 NAD 8.55457
607 5X8G S0N 8.55457
608 1QO8 FAD 8.55457
609 1PN0 IPH 8.55457
610 1PN0 FAD 8.55457
611 5ODQ FAD 8.57143
612 2A2X NA9 8.82353
613 2ANK N12 8.82353
614 2QTZ NAP 8.84956
615 5XNC MTA 8.84956
616 4KQL 1SG 8.84956
617 3CBG SAH 9.05172
618 4TXJ THM 9.12162
619 3GDH SAH 9.12863
620 5M67 3D1 9.14454
621 5M67 NAD 9.14454
622 5M67 ADE 9.14454
623 1NAA 6FA 9.14454
624 1NAA ABL 9.14454
625 1YKJ FAD 9.14454
626 1E3W NAD 9.1954
627 3EGI ADP 9.2233
628 1E6W NAD 9.23077
629 4BMO FMN 9.2437
630 1FRW GTP 9.27835
631 1KPH SAH 9.40767
632 5Z2F NAP 9.43396
633 6DNT NAD 9.43953
634 3AD8 NAD 9.43953
635 5GT9 NAP 9.5057
636 2I7C AAT 9.54064
637 3CW9 AMP 9.73451
638 1VJT NAD 9.73451
639 1C3X 8IG 9.77444
640 3N5B ADP 9.82143
641 5OFI 9TQ 9.83607
642 5N6C NAD 10
643 3SIX GDP 10
644 2GCG NDP 10
645 5HH0 COA 10
646 4IY7 KOU 10.0295
647 3NKS FAD 10.0295
648 4DQL NAP 10.0295
649 1I1N SAH 10.177
650 3MB5 SAM 10.1961
651 2ZFU SAH 10.2326
652 4WCX SAM 10.3245
653 6ECU SAH 10.443
654 6ECW SAH 10.4762
655 3IHG FAD 10.6195
656 6CZ7 MGD 10.6838
657 1TPY SAH 10.8014
658 1BW9 NAD 10.9145
659 1BXG NAD 10.9145
660 1C1X NAD 10.9145
661 4POO SAM 11
662 3DXY SAM 11.0092
663 2AC7 ADN 11.0638
664 1HDR NAD 11.0656
665 1KEW NAD 11.2094
666 5WP5 SAH 11.2094
667 1K4M NAD 11.2676
668 1MFI FHC 11.4035
669 3L5R 47X 11.4754
670 4XB2 NDP 11.6418
671 4XB2 HSE 11.6418
672 1M2K APR 11.6466
673 1L1E SAH 11.8467
674 2DC1 NAD 11.8644
675 3OQJ 3CX 12.0623
676 4OBW SAM 12.0623
677 2APC UDM 12.0944
678 2NU8 COA 12.1528
679 1I2L DCS 12.2677
680 5AYV KPL 12.2977
681 5AYV NAP 12.2977
682 3ORF NAD 12.3506
683 5DLY SAH 12.406
684 5DLY 5D7 12.406
685 5CAE COA 12.4601
686 5CAE SIN 12.4601
687 5WS9 AMP 12.6844
688 5LW0 AR6 12.987
689 1BC5 SAH 13.0112
690 2QQF A1R 13.6364
691 2OD9 A1R NCA 13.6364
692 3FPF MTA 13.7584
693 3FPF TNA 13.7584
694 2F5Z FAD 14.0625
695 1P1C SAH 14.0704
696 5IOK ACE GLN THR ALA ARG KCR SER THR 14.0845
697 1SZD APR 14.1414
698 3H11 ALA ILE GLU THR ASA 14.3382
699 1BZL GCG 14.4543
700 1BZL FAD 14.4543
701 2HMT NAI 15.2778
702 1RHC F42 ACN 15.4545
703 5NMX NAP 15.9292
704 4YSX FAD 16.0256
705 6GAR FAD 16.2242
706 5ULJ 0WD 16.8142
707 1J5P NAD 16.996
708 4XIZ LPP 17.6471
709 3VRV YSD 17.7122
710 1X87 NAD 17.9941
711 4MDH NAD 18.5629
712 1L7E NAI 18.5841
713 4KIB SAH 18.5841
714 5MDH NAD 18.6186
715 1O94 ADP 18.75
716 1O94 AMP 18.75
717 1O97 FAD 18.75
718 1O97 AMP 18.75
719 1SC6 NAD 18.8791
720 1F8G NAD 19.469
721 6F5Z SAH 19.6721
722 3B1J NAD 20
723 2CDC XYP 21.8289
724 2CDC XYS 21.8289
725 2CDC NAP 21.8289
726 5ZZ6 ADP 22.1154
727 3LCC SAH 23.4043
728 4M73 M72 23.7389
729 4M73 SAH 23.7389
730 2D5A COA 24.3056
731 3Q9N COA 25.5319
732 5L9N ATP 27.6786
733 1LSS NAD 27.8571
734 3LF0 ATP 28.9474
735 4QTU SAM 29.8077
736 4Y1B NAP 30.3835
737 1KOL NAD 33.6283
738 1PL6 NAD 43.9528
739 1PL6 572 43.9528
740 2FZW NAD 44.7721
741 2DFV NAD 46.0177
Pocket No.: 4; Query (leader) PDB : 1RJW; Ligand: ETF; Similar sites found with APoc: 275
This union binding pocket(no: 4) in the query (biounit: 1rjw.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4WK1 2BA None
2 2XXP DSL 1.17994
3 1I9G SAM 1.42857
4 5A1T NAI 1.47493
5 5A1T OXM 1.47493
6 4PZ2 NAD 1.47493
7 3VYW SAM 1.62338
8 1C3V NDP 1.63265
9 1JV1 UD1 1.76991
10 5XLX SAH 1.77305
11 3QPB URA 1.77305
12 6CEP OXM 1.79641
13 3RIY NAD 1.8315
14 3A27 SAM 1.83824
15 2RC5 FAD 1.91083
16 5X9D 80F 1.97368
17 6GFK SAH 1.99203
18 1LVW TYD 2.0339
19 1IM8 SAI 2.04918
20 4CIB 7UZ 2.0649
21 3VSV XYS 2.0649
22 1ZAP A70 2.0649
23 5KMS NAD 2.0649
24 3U40 ADN 2.06612
25 3GCZ SAM 2.12766
26 4XT8 NAP 2.32558
27 4XT8 TMQ 2.32558
28 4Q9N NAI 2.34899
29 3ICT ADP 2.35988
30 3QVP FAD 2.35988
31 4HA6 FAD 2.35988
32 5MLR GRQ 2.35988
33 5JAQ NAI 2.35988
34 1OC2 NAD 2.35988
35 1OC2 TDX 2.35988
36 4LH0 GLV 2.35988
37 1SOW NAD 2.43902
38 4CJX NAP