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Receptor
PDB id Resolution Class Description Source Keywords
2RHR 2.5 Å EC: 1.3.1.- P94L ACTINORHODIN KETORDEUCTASE MUTANT, WITH NADPH AND INHIB EMODIN STREPTOMYCES COELICOLOR OXIDOREDUCTASE POLYKETIDE ACTINORHODIN KETOREDUCTASE COMBINATORIAL BIOSYNTHESIS SHORT CHAIN DEHYDROGENASE/REDUC
Ref.: INHIBITION KINETICS AND EMODIN COCRYSTAL STRUCTURE II POLYKETIDE KETOREDUCTASE BIOCHEMISTRY V. 47 1837 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EMO A:302;
A:303;
Valid;
Valid;
none;
none;
submit data
270.237 C15 H10 O5 Cc1cc...
NAP A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RH4 2.3 Å EC: 1.3.1.- ACTINORHODIN KETOREDUCTASE, ACTKR, WITH NADPH AND INHIBITOR STREPTOMYCES COELICOLOR OXIDOREDUCTASE POLYKETIDE ACTINORHODIN KETOREDUCTASE COMBINATORIAL BIOSYNTHESIS SHORT CHAIN DEHYDROGENASE/REDUC
Ref.: INHIBITION KINETICS AND EMODIN COCRYSTAL STRUCTURE II POLYKETIDE KETOREDUCTASE BIOCHEMISTRY V. 47 1837 2008
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
5 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1GEG - GLC C6 H12 O6 C([C@@H]1[....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
21 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
22 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
23 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
24 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
25 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1IPF - TNE C8 H13 N O CN1[C@H]2C....
27 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
29 6CI9 - F3V C3 H7 N O CC(=O)CN
30 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
34 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
35 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
36 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
37 5ICM - GLC C6 H12 O6 C([C@@H]1[....
38 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
39 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
42 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
52 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
54 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
63 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
67 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
68 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
69 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
70 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
71 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
75 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
76 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
77 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EMO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EMO 1 1
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RH4; Ligand: EMO; Similar sites found with APoc: 815
This union binding pocket(no: 1) in the query (biounit: 2rh4.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 2GN3 MMA None
2 3FGZ BEF None
3 2GN3 MAN None
4 3R6K FUC GAL GLA 0.722022
5 3GU3 SAH 1.44404
6 1ZQ9 SAM 1.44404
7 3JQQ A2P 1.44404
8 2XVM SAH 1.50754
9 3KO8 NAD 1.80505
10 6DNT NAD 1.80505
11 1LDN NAD 1.80505
12 6CEP NAD 1.80505
13 1EZ4 NAD 1.80505
14 4E5N NAD 1.80505
15 6CEP OXM 1.80505
16 1HYH NAD 1.80505
17 5H81 NAP 1.80505
18 5AHO TLA 1.80505
19 2PT9 2MH 1.80505
20 5E72 SAM 1.80505
21 5A04 BGC 1.80505
22 5A04 NDP 1.80505
23 5FTW SAH 1.95312
24 3BXO SAM 2.09205
25 5LW0 AR6 2.1645
26 3A4V PYR 2.16606
27 3A4V NAD 2.16606
28 2F1K NAP 2.16606
29 4GLL NAD 2.16606
30 5NUF NAD 2.16606
31 4KOA NDP 2.16606
32 1SQF SAM 2.16606
33 1CDO NAD 2.16606
34 3TKY SAH 2.16606
35 4XQC NAD 2.16606
36 4PLG OXM 2.16606
37 4PLG NAI 2.16606
38 4XQC 13D 2.16606
39 5DOZ NDP 2.16606
40 4RSL FAD 2.16606
41 5X9D 80F 2.16606
42 3IHG FAD 2.16606
43 2VE3 REA 2.16606
44 2VHW NAI 2.16606
45 3I53 SAH 2.16606
46 2QZZ EMF 2.16606
47 2QZZ NAP 2.16606
48 1U8X NAD 2.16606
49 1L1E SAH 2.16606
50 1JAY NAP 2.35849
51 2VDV SAM 2.43902
52 1IM8 SAI 2.45902
53 4R1S NAP 2.52708
54 4PVD NDP 2.52708
55 5MLR GRQ 2.52708
56 5MLR NAP 2.52708
57 3O7W SAM 2.52708
58 5KKA 6V0 2.52708
59 1WP4 NDP 2.52708
60 1FP2 SAH 2.52708
61 2I3G NAP 2.52708
62 1X87 NAD 2.52708
63 1GUZ NAD 2.52708
64 5OCM NAP 2.52708
65 2CVZ NDP 2.52708
66 4YCA NDP 2.52708
67 3I6I NDP 2.52708
68 5Z21 NAI 2.52708
69 5CWA 0GA 2.52708
70 4PLT NAI 2.52708
71 1I9G SAM 2.52708
72 5JJR SAH 2.52708
73 1XDS SAM 2.52708
74 4C2C ALA ALA ALA 2.52708
75 4PLT OXM 2.52708
76 1QZZ SAM 2.52708
77 3C1O NAP 2.52708
78 4A6D SAM 2.52708
79 1P3D UMA 2.52708
80 2QQF A1R 2.52708
81 5LKC FUC GLA A2G 2.52708
82 3TWO NDP 2.52708
83 1P31 EPU 2.52708
84 3PT9 SAH 2.52708
85 6FHO FAD 2.52708
86 1DRV A3D 2.5641
87 5T9E NAP 2.58303
88 4JK3 NAD 2.7027
89 6DUB SAH 2.7027
90 4LWP SAH 2.71739
91 4OBW SAM 2.72374
92 3FRH SAH 2.7668
93 2VT3 ATP 2.7907
94 2PXX SAH 2.7907
95 3G89 SAM 2.81124
96 5ZZ6 ADP 2.88462
97 5ZZ6 NAD 2.88462
98 1OC2 TDX 2.88809
99 1OC2 NAD 2.88809
100 5MDH NAD 2.88809
101 1V6A TRE 2.88809
102 5WP5 SAH 2.88809
103 5ZI2 NAD 2.88809
104 5ZI2 ADP 2.88809
105 4MDH NAD 2.88809
106 1PJS NAD 2.88809
107 3OJO NAD 2.88809
108 2CVQ NDP 2.88809
109 5U5G NAP 2.88809
110 1YJQ NAP 2.88809
111 5ULJ 0WD 2.88809
112 1M2W NAD 2.88809
113 1Y8Q ATP 2.88809
114 1LJ8 NAD 2.88809
115 3L9W AMP 2.88809
116 4KRG SAH 2.88809
117 5FUB SAH 2.88809
118 4KRI SAH 2.88809
119 6ECW SAH 2.88809
120 4DMG SAM 2.88809
121 6ECU SAH 2.88809
122 3L9W GSH 2.88809
123 2J5V PCA 2.88809
124 1KEV NDP 2.88809
125 1F8F NAD 2.88809
126 5YU3 NAD 2.88809
127 5YU3 PRO 2.88809
128 4UP3 NDP 2.88809
129 1DJL NAP 2.89855
130 1QSC ACE TYR PRO ILE GLN GLU THR 3.14136
131 3WV8 ATP 3.21101
132 2Y7P SAL 3.21101
133 1Y1P NMN AMP PO4 3.2491
134 1E5Q NDP 3.2491
135 3H8V ATP 3.2491
136 2CDU ADP 3.2491
137 5URY PAM 3.2491
138 1HDG NAD 3.2491
139 4M37 SAH 3.2491
140 4L8V NAP 3.2491
141 6C4T NA7 3.2491
142 3LCC SAH 3.2491
143 5AYV NAP 3.2491
144 4GKV NAD 3.2491
145 2A92 NAI 3.2491
146 2OWZ CIT 3.2491
147 1H9A NAP 3.2491
148 1F8G NAD 3.2491
149 4BVA NDP 3.2491
150 2I7C AAT 3.2491
151 2O4C NAD 3.2491
152 3QOX SAH 3.2491
153 2UZH CDP 3.2491
154 4N49 SAM 3.2491
155 4NES UDP 3.2491
156 6F7L FAD 3.2491
157 3CGB FAD 3.2491
158 2XYQ SAH 3.2491
159 4K5S FAD 3.2491
160 4D79 ATP 3.26087
161 1D4O NAP 3.26087
162 5TVI O8N 3.26087
163 1C9K 5GP 3.33333
164 2W5P CL8 3.3557
165 4QTU SAM 3.36538
166 3RFV NAI 3.37079
167 3RFV 15L 3.37079
168 1PWB GLC 3.38983
169 5Z2F NAP 3.39623
170 1ZH8 NAP 3.52941
171 4IRP UDP 3.58566
172 1EYQ NAR 3.6036
173 6EL3 NAP 3.61011
174 2JL1 NAP 3.61011
175 1GV0 NAD 3.61011
176 2YY7 NAD 3.61011
177 1Z45 NAD 3.61011
178 2PV7 NAD 3.61011
179 1RJW ETF 3.61011
180 4R5M NAP 3.61011
181 3B20 NAD 3.61011
182 2D2I NAP 3.61011
183 5E8J SAH 3.61011
184 5E9W SAH 3.61011
185 5UAV NDP 3.61011
186 3B1J NAD 3.61011
187 3L4S NAD 3.61011
188 4R5M 4NO 3.61011
189 2GLX NDP 3.61011
190 5N6C NAD 3.61011
191 2WPB ZZI 3.61011
192 3L4S 3PG 3.61011
193 2GZ3 NAP 3.61011
194 3H5N ATP 3.61011
195 1PZG A3D 3.61011
196 1SC6 NAD 3.61011
197 4DCM SAM 3.61011
198 1Z45 UPG 3.61011
199 1CT9 GLN 3.61011
200 5MST AMP 3.61011
201 2CDC XYP 3.61011
202 2CDC NAP 3.61011
203 2CDC XYS 3.61011
204 3TLJ SAH 3.61011
205 4ONQ SFG 3.61011
206 1GR0 NAD 3.61011
207 5UAV TFB 3.61011
208 2PD4 NAD 3.63636
209 2PD4 DCN 3.63636
210 2HJR APR 3.65854
211 3MQ2 SAH 3.66972
212 3G2O SAM 3.67893
213 5HWK BEZ 3.75
214 1QH9 LAC 3.87931
215 1PNO NAP 3.88889
216 1J5P NAD 3.95257
217 1RPN NDP 3.97112
218 4ZRN UPG 3.97112
219 5DF1 NAP 3.97112
220 5DF1 58X 3.97112
221 4ZRN NAD 3.97112
222 5XNC MTA 3.97112
223 4ZNO SUC 3.97112
224 5UR0 NAD 3.97112
225 3BAZ NAP 3.97112
226 6D6Y SAH 3.97112
227 2JHP SAH 3.97112
228 4D3F NAP 3.97112
229 1O6Z NAD 3.97112
230 3EVG SAH 3.97112
231 4DPL NAP 3.97112
232 4RDH AMP 3.97112
233 3CIF NAD 3.97112
234 3T7S SAM 3.97112
235 1D1T NAD 3.97112
236 1TI7 NAP 3.97112
237 5XVH NAP 3.97112
238 1V59 NAD 3.97112
239 2P41 SAH 3.97112
240 2B5W NAP 3.97112
241 3GCZ SAM 3.97112
242 1NPD NAD 3.97112
243 3LKZ SFG 3.97112
244 1NVT NAP 3.97112
245 2VUT NAD 3.97112
246 3GGO ENO 3.97112
247 3GGO NAI 3.97112
248 3CIF G3H 3.97112
249 2JJQ SAH 3.97112
250 1LVL NAD 3.97112
251 5Y77 FAD 3.97112
252 1GQ2 NAP 3.97112
253 3ENV ABF 3.97112
254 6AIN FAD 3.97112
255 1VI2 NAD 3.97112
256 4M73 SAH 3.97112
257 3WBF NAP 3.97112
258 6C4M NAP 3.97112
259 4M73 M72 3.97112
260 5U6C 7YS 3.97112
261 3WBF API 3.97112
262 3AXB FAD 3.97112
263 4RDI ATP 3.97112
264 2HK9 ATR 4
265 2HK9 NAP 4
266 3P2E SAH 4
267 5O96 SAM 4.08163
268 2V0U FMN 4.10959
269 5BW4 SAM 4.11985
270 4NEC SAH 4.16667
271 1I36 NAP 4.16667
272 2AG8 NAP 4.18251
273 5NUE NAD 4.21687
274 1L7N ALF 4.2654
275 2C29 NAP 4.33213
276 2C29 DQH 4.33213
277 1UDB UFG 4.33213
278 1UDB NAD 4.33213
279 1E7S NAP 4.33213
280 4E13 NAD 4.33213
281 2V6G NAP 4.33213
282 1I2B UPG 4.33213
283 1I2B USQ 4.33213
284 1I2B NAD 4.33213
285 1FP1 SAH 4.33213
286 1UP7 NAD 4.33213
287 5Z20 NAI 4.33213
288 1KYZ SAH 4.33213
289 5W7R SAH 4.33213
290 4WBD CIT 4.33213
291 1SAY PYR 4.33213
292 3A27 SAM 4.33213
293 3SSO SAH 4.33213
294 5YJF 8WO 4.33213
295 5GM1 SAH 4.33213
296 3GWZ SAH 4.33213
297 2GSD NAD 4.33213
298 3WLE NAD 4.33213
299 5YJF SAH 4.33213
300 1U3U BNF 4.33213
301 1U3U NAD 4.33213
302 4MP8 NAD 4.33213
303 4MP8 MLI 4.33213
304 3GXO SAH 4.33213
305 4XZ3 COA 4.34783
306 5OJL TXP 4.36242
307 1NJF ADP 4.4
308 1NJF AGS 4.4
309 3RGG AIR 4.40252
310 1VE3 SAM 4.40529
311 1C3V NDP 4.4898
312 5MSO NAP 4.69314
313 1ORR NAD 4.69314
314 3B1F NAD 4.69314
315 1B8U NAD 4.69314
316 2UYQ SAM 4.69314
317 9LDT NAD 4.69314
318 9LDB NAD 4.69314
319 5EES NAP 4.69314
320 2G5C NAD 4.69314
321 1ZGS XMM 4.69314
322 1NE7 16G 4.69314
323 1RM4 NDP 4.69314
324 1OMO NAD 4.69314
325 1B8U OAA 4.69314
326 5DXA SFG 4.69314
327 5DX8 SFG 4.69314
328 3WQQ NDP 4.69314
329 3WQQ IB3 4.69314
330 4JBI NDP 4.69314
331 5DWQ SFG 4.69314
332 5FWA J7C 4.69314
333 1YKF NAP 4.69314
334 4CNG SAH 4.70588
335 5AJU RP5 4.74453
336 3B6O TMP 4.8583
337 1ZGA SAH 5.04202
338 1A5Z NAD 5.05415
339 4XB2 NDP 5.05415
340 1WDK NAD 5.05415
341 4RQU NAD 5.05415
342 2DFV NAD 5.05415
343 4XB2 HSE 5.05415
344 2DBZ NAP 5.05415
345 5W3Y ACO 5.05415
346 2GCG NDP 5.05415
347 3MCT SAH 5.05415
348 2CUN 3PG 5.05415
349 1LLU NAD 5.05415
350 3EQO LGC 5.05415
351 1GZ4 ATP 5.05415
352 3MAG SAH 5.05415
353 2BHW NEX 5.17241
354 1W8S FBP 5.32319
355 1Y7P RIP 5.38117
356 3LST SAH 5.41516
357 1LDM NAD 5.41516
358 2NU8 COA 5.41516
359 5KOK SAH 5.41516
360 4KIB SAH 5.41516
361 1EBF NAD 5.41516
362 5AOV NAP 5.41516
363 1LUA NAP 5.41516
364 4ZVV NAD 5.41516
365 5ULP KB1 5.41516
366 5Y8L NAD 5.41516
367 5Y8L HUI 5.41516
368 3FSY SCA 5.41516
369 4ZVV GN0 5.41516
370 5OJ7 AR6 5.41516
371 1MO9 KPC 5.41516
372 1MO9 FAD 5.41516
373 2O07 MTA 5.41516
374 4FZV SAM 5.43933
375 1UXG NAD 5.50162
376 1UXG FUM 5.50162
377 2DC1 NAD 5.50847
378 5F5N NAD 5.53633
379 5THZ SAH 5.67901
380 5BJX NAD 5.77617
381 5BJX UDP 5.77617
382 2VYN NAD 5.77617
383 1MV8 NAD 5.77617
384 1RJD SAM 5.77617
385 6FDF SAH 5.77617
386 5IHE D5M 5.77617
387 1VKO NAD 5.77617
388 3LCV SAM 5.77617
389 5T96 79J 5.77617
390 2GVC FAD 5.77617
391 1VQW FAD 5.77617
392 5E1M SAH 5.80913
393 5Z49 RUB 5.85774
394 6HDT BTN 6.01504
395 2A14 SAH 6.08365
396 5W7K SAH 6.08974
397 5YSN 5AD 6.1017
398 3ABI NAD 6.13718
399 1BXK NAD 6.13718
400 3GFB NAD 6.13718
401 1DSS NAD 6.13718
402 1NYT NAP 6.13718
403 5ERG SAM 6.13718
404 5JGL SAM 6.13718
405 2IXB NAD 6.13718
406 2GAG FOA 6.13718
407 4PNE SAH 6.13718
408 2IXB A2G 6.13718
409 3LJU IP9 6.13718
410 3VYW SAM 6.13718
411 3S5W FAD 6.13718
412 5X68 FAD 6.13718
413 2IV3 UDP 6.13718
414 5FI3 NAP 6.13718
415 1VM6 NAD 6.14035
416 2FR1 NDP 6.17284
417 2BKA NDP 6.19835
418 3GDH SAH 6.22407
419 4IF4 BEF 6.25
420 5OOH 9ZZ 6.31068
421 5OOH NAP 6.31068
422 1O8B ABF 6.39269
423 1N7G GDR 6.4982
424 1HYE NAP 6.4982
425 1N7G NDP 6.4982
426 4CJX NAP 6.4982
427 1J0X NAD 6.4982
428 1R37 NAD 6.4982
429 2EG5 SAH 6.4982
430 1O0S NAI 6.4982
431 5KVS NAP 6.4982
432 2VHL GLP 6.4982
433 2QPU QPS 6.4982
434 6BQ6 TER 6.4982
435 2ALG DAO 6.52174
436 1QAN SAH 6.55738
437 1K3T BRZ 6.68524
438 1VBO MAN MAN MAN 6.71141
439 2EV9 NAP 6.84411
440 2EV9 SKM 6.84411
441 5Z75 NAD 6.85921
442 1V35 NAI 6.85921
443 5W7M SAH 6.85921
444 1CF2 NAP 6.85921
445 1DJN ADP 6.85921
446 1O94 ADP 6.85921
447 1NVM NAD 6.85921
448 1J49 NAD 6.85921
449 5EIN NAP 6.85921
450 6C5B SAH 6.85921
451 4V15 PLP 6.85921
452 2EFJ SAH 6.85921
453 5MIT NAP 6.85921
454 5MIT FAD 6.85921
455 1U1I NAD 6.88775
456 3JWH SAH 6.91244
457 5TC4 NAD 6.96203
458 1P0F NAP 6.97051
459 2ZFU SAH 6.97674
460 2D3S TNR 7.02479
461 3VC1 SAH 7.05128
462 2D5X L35 7.0922
463 5WP4 SAH 7.22022
464 4LHD GLY 7.22022
465 5DNK SAH 7.22022
466 5F8F SFG 7.22022
467 1H2B NAJ 7.22022
468 6ECT SAM 7.22022
469 3M89 GSP 7.22022
470 3RUV ANP 7.22022
471 4IMG NGF 7.22022
472 3DMH SAM 7.22022
473 3DMH GMP 7.22022
474 2WA2 SAM 7.24638
475 4OGQ 7PH 7.26257
476 3EGI ADP 7.28155
477 2CUL FAD 7.32759
478 2YVJ NAI 7.33945
479 1SB8 NAD 7.38636
480 1SB8 UD2 7.38636
481 3MB5 SAM 7.45098
482 2C5A NAD 7.58123
483 2C5A GDC 7.58123
484 1CER NAD 7.58123
485 6BII NAP 7.58123
486 6A0S HSE 7.58123
487 6A0S NDP 7.58123
488 5D4V SAH 7.58123
489 2WK1 SAH 7.58123
490 1X7D NAD 7.71429
491 1X7D ORN 7.71429
492 5N2I NAP 7.75862
493 4YGM URA 7.75862
494 4FGC PQ0 7.87879
495 5U5N NAD 7.8853
496 2GN4 UD1 7.94224
497 2GN4 NDP 7.94224
498 5MPT SAH 7.94224
499 1WVG APR 7.94224
500 3QV1 NAD 7.94224
501 4C4A SAH 7.94224
502 2ZWA SAH 7.94224
503 5JE8 NAD 7.94224
504 4TXI FAD 7.94224
505 3VSE SAH 7.94224
506 2BRY FAD 7.94224
507 1YB5 NAP 7.94224
508 5K7U SAM 8
509 6GMN F4E 8.02469
510 5MGZ SAH 8.05085
511 1LTH NAD 8.30325
512 4U7W NDP 8.30325
513 5THY SAH 8.30325
514 5LD5 NAD 8.30325
515 1GAD NAD 8.30325
516 3H9E NAD 8.30325
517 1SOW NAD 8.30325
518 3OA2 NAD 8.30325
519 4Y4V DAL 8.30325
520 2HMT NAI 8.33333
521 5XWV NDP 8.46774
522 5XWV 8H6 8.46774
523 5IL1 SAM 8.49057
524 5A1T NAI 8.5044
525 5A1T OXM 8.5044
526 2Q1S NAI 8.66426
527 1YS4 NAP 8.66426
528 3ICS ADP 8.66426
529 1BW9 NAD 8.66426
530 3V1Y NAD 8.66426
531 3ICT ADP 8.66426
532 3WMX NAD 8.66426
533 2HYV UAP SGN IDS SGN IDS 8.66426
534 1MUU NAD 8.66426
535 4Z0H NAD 8.66426
536 6C4N NAP 8.66426
537 1C1X NAD 8.66426
538 3KB6 NAD 8.66426
539 1BXG NAD 8.66426
540 2B4R NAD 8.66426
541 2B4R AES 8.66426
542 3B99 U51 8.66426
543 2DKH FAD 8.66426
544 3LTW HLZ 8.66426
545 3ULK NDP 8.66426
546 5YF1 SFG 8.66426
547 5L95 AMP 8.75
548 2DTJ THR 8.98876
549 1PL6 NAD 9.02527
550 5CAE COA 9.02527
551 2OOR NAD 9.02527
552 1PL6 572 9.02527
553 5CAE SIN 9.02527
554 2OOR TXP 9.02527
555 5X20 NAD 9.29487
556 1Z0N BCD 9.375
557 2X6T NAP 9.38628
558 5L4L 7OX 9.38628
559 3X0D SAH 9.38628
560 5L4L NAP 9.38628
561 2YX1 SFG 9.38628
562 2EXX NAP 9.38628
563 1E3I CXF 9.74729
564 1TB4 PEJ 9.74729
565 2OG2 MLI 9.74729
566 5XLX SAH 9.74729
567 1PS9 NAP 9.74729
568 2NAD NAD 9.74729
569 3DUW SAH 9.86547
570 1EJ0 SAM 10
571 1EK6 NAI 10.1083
572 1EK6 UPG 10.1083
573 1VL0 NAI 10.1083
574 2Q1W NAD 10.1083
575 5X62 SAH 10.1083
576 4GGZ BTN 10.4348
577 1GY8 NAD 10.4693
578 3VPH NAD 10.4693
579 3VPH OXM 10.4693
580 1OBB NAD 10.4693
581 1KEW NAD 10.5263
582 1KEW TYD 10.5263
583 3A4T SFG 10.5839
584 4G5H NAP 10.8303
585 4G5H UD7 10.8303
586 1KYQ NAD 10.8303
587 1G55 SAH 10.8303
588 4OOE FOM 10.8303
589 4OOE NDP 10.8303
590 5ZW3 SAH 11.1111
591 2Y6Q FAD 11.1913
592 3LU1 NAD 11.2637
593 5T9F TYR 11.4391
594 5T9F NAP 11.4391
595 1R6D DAU 11.5523
596 1R6D NAD 11.5523
597 4OM8 NAD 11.5523
598 4FBL SPD 11.5523
599 5DN9 NAD 11.5523
600 1M0S CIT 11.8721
601 1X14 NAD 11.9134
602 2PWY SAH 12.0155
603 5YEC ATP 12.605
604 1EQ2 NAP 12.6354
605 4XYB NDP 12.6354
606 1JG3 ADN 12.766
607 2P9H IPT 12.9964
608 5Y1G AKB 13.3574
609 5Y1G NAD 13.3574
610 4YMH SAH 13.75
611 4EKV BTN 13.8365
612 2Q46 NAP 14.2292
613 5ZCO CHD 14.2857
614 4ZGS NAD 14.4404
615 3A06 NDP 14.6277
616 3A06 FOM 14.6277
617 5ZEC NAP 14.8014
618 2NXE SAM 14.8014
619 4HXY NDP 15.5235
620 5IN4 6CK 15.5235
621 5IN4 GDP 15.5235
622 5IN4 NAP 15.5235
623 4Q9N NAI 15.8845
624 5K4W THR 15.8845
625 5K4W NAI 15.8845
626 4OHU 2TK 16.2455
627 4OHU NAD 16.2455
628 4JLS 3ZE 16.4474
629 1D7O TCL 16.6065
630 1D7O NAD 16.6065
631 6GKV SAH 16.6065
632 2Q0L NAP 16.6065
633 1LSS NAD 17.1429
634 6AA8 NAD 17.3285
635 1RV0 DAN 17.5
636 6A3J NAI 17.561
637 4TQG NDP 18.7726
638 5L4S NAP 18.7726
639 5L4S 6KX 18.7726
640 1FK8 NAD 19.0661
641 2PZM NAD 19.1336
642 2PZM UDP 19.1336
643 1RKX NAD 20.2166
644 4POO SAM 20.5
645 1BC5 SAH 20.8178
646 4PIV NDP 20.9386
647 4PIV 2W4 20.9386
648 4GQB 0XU 22.7273
649 6BWL NAD 22.7437
650 1HDR NAD 23.3607
651 2DT5 NAD 23.6967
652 4M38 SAH 23.8095
653 3ORF NAD 24.7012
654 5FA5 MTA 25
655 4II2 ATP 26.506
656 5GT9 NAP 27.7567
657 6F5Z SAH 29.5082
658 4J1Q NDP 29.9639
659 3CH6 311 30.6859
660 3CH6 NAP 30.6859
661 5I7S E9P 31.1594
662 5I7S NAD 31.1594
663 4K26 SFF 31.5217
664 4K26 NDP 31.5217
665 1NNU NAD 31.6667
666 1NNU TCT 31.6667
667 1GZ6 NAI 31.769
668 4O1M NAD 32.13
669 4O0L NDP 32.3636
670 4YAC NAI 32.491
671 1XSE NDP 32.491
672 1OAA OAA 32.8185
673 4Y9D NAI 32.852
674 5O98 NAP 33.574
675 2PK3 A2R 33.6449
676 3RJ5 NAD 33.8583
677 1ZBQ NAD 33.935
678 4J7U YTZ 33.935
679 4J7U NAP 33.935
680 1Z6Z NAP 34.657
681 4YAG NAI 35.7401
682 1N5D NDP 35.7401
683 1WMA AB3 35.8696
684 1WMA NDP 35.8696
685 5WQP NCA 35.8974
686 5WQP NAP 35.8974
687 3O26 NDP 36.1011
688 3WXB NDP 36.2007
689 1SNY NAP 36.7041
690 4D42 W0I 36.8231
691 4D42 NAP 36.8231
692 2GDZ NAD 37.0787
693 3OJF IMJ 37.7432
694 3OJF NDP 37.7432
695 3OIG NAD 37.9699
696 1W8D NAP 38.0795
697 1W73 NAP 38.0795
698 3HB5 NAP 38.2671
699 1A27 NAP 38.2671
700 1A27 EST 38.2671
701 3HB5 E2B 38.2671
702 5L53 NAP 38.6282
703 3RKR NAP 38.9892
704 1W6U NAP 39.0728
705 1BDB NAD 39.3502
706 1QG6 NAD 39.4636
707 1QG6 TCL 39.4636
708 4IXW IXW 39.7638
709 5GWT SIN 40.0722
710 5GWT NAD 40.0722
711 3ZV6 4HB 40.4332
712 3ZV6 NAD 40.4332
713 3H4V DVP 40.4332
714 3H4V NAP 40.4332
715 3TN7 NJP 40.856
716 4ZU3 4SD 40.9692
717 1U7T TDT 41.3793
718 1U7T NAD 41.3793
719 6F9Q NAD 41.9118
720 5CG1 NAD BBN 42.2383
721 1E3W NAD 42.5287
722 2WYV NAD 42.5287
723 1UAY ADN 42.562
724 2BD0 NAP 42.623
725 2BD0 BIO 42.623
726 1E6W NAD 42.6923
727 2WD7 NAP 42.9104
728 1MXH DHF 43.1159
729 1MXH NAP 43.1159
730 5G4L NDP 43.6823
731 3QWI NAP 43.7037
732 3QWI CUE 43.7037
733 1XG5 NAP 44.0433
734 5EPO TUD 44.2748
735 5EPO NAP 44.2748
736 3GEG NAD 44.5344
737 2BGM NAJ 44.6043
738 2BGM MAX 44.6043
739 5OVL NAP 44.7653
740 6CI9 NAP 44.7876
741 6CI9 F3V 44.7876
742 3U4C NDP 44.8399
743 2DKN NAI 45.098
744 5O42 9JW 45.2555
745 5O42 NAD 45.2555
746 5O42 BGC 45.2555
747 4FC7 COA 45.4874
748 4FC7 NAP 45.4874
749 4QED NAP 45.5645
750 3OID NDP 45.7364
751 5EJ2 NAD 45.8484
752 5K6A NAP 45.8484
753 5JDC NAP 45.8484
754 4CM8 NAP 45.8484
755 5JCJ NAP 45.8484
756 5JDI NAP 45.8484
757 3V1U NAD 45.8484
758 4CM9 NAP 45.8484
759 3BMN NAP 45.8484
760 4CLR NAP 45.8484
761 4CMI NAP 45.8484
762 3JQ9 NAP 45.8484
763 4CM4 NAP 45.8484
764 3BMO NAP 45.8484
765 3JQF NAP 45.8484
766 3JQA NAP 45.8484
767 3JQG NAP 45.8484
768 3BMQ NAP 45.8484
769 3JQ7 NAP 45.8484
770 4CLO NAP 45.8484
771 4CME NAP 45.8484
772 3JQB NAP 45.8484
773 3JQ8 NAP 45.8484
774 3JQ9 AX1 45.8484
775 5JDI 6JO 45.8484
776 4CME KTZ 45.8484
777 5K6A 6QT 45.8484
778 5JCJ 6JM 45.8484
779 3JQB DX6 45.8484
780 4CM9 YGL 45.8484
781 4CMI M4V 45.8484
782 3BMO AX4 45.8484
783 5JDC 6JP 45.8484
784 4CM8 IZ9 45.8484
785 4CM4 4NR 45.8484
786 4CLO XP0 45.8484
787 4OSP NAP 46.0076
788 4OSP 2V4 46.0076
789 3A28 NAD 46.124
790 2B4Q NAP 46.3768
791 1AE1 NAP 46.5201
792 2EWM NAD 46.5863
793 1GEG NAD 46.875
794 4RF2 NAP 47.0588
795 1HDC CBO 47.2441
796 4ITU NAI 47.5836
797 4ITU 1HS 47.5836
798 1G0N NDP 48.0144
799 1G0N PHH 48.0144
800 1NFQ NAI 48.0769
801 2JAH NDP 48.1781
802 1ZK4 NAP 48.2072
803 1ZK4 AC0 48.2072
804 1PR9 NAP 48.3607
805 3D3W NAP 48.3607
806 2WSB NAD 48.4252
807 5OVK NDP 48.4375
808 5THQ NDP 48.8971
809 4ZA2 NAD 49.0119
810 3O03 NAP 49.0975
811 1YXM ADE 49.0975
812 5WUW NAP 49.0975
813 3O03 GCO 49.0975
814 1IY8 NAD 49.4382
815 4NBW NAD 49.8054
816 4FN4 NAD 50
Pocket No.: 2; Query (leader) PDB : 2RH4; Ligand: EMO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2rh4.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
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