Receptor
PDB id Resolution Class Description Source Keywords
3RI3 2.29 Å EC: 1.3.1.- ACTINORHODIN POLYKETIDE KETOREDUCTASE MUTANT P94L BOUND TO N THE INHIBITOR EMODIN STREPTOMYCES COELICOLOR ACTINORHODIN POLYKETIDE KETOREDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASE ROSSMANN FOLD TYPE II POLYKETIDE KETOREDUCTASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMP
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSES OF REGIO- AND STEREOSPECIFICITIES OBSERVED IN A TYPE II POLYKETID KETOREDUCTASE. BIOCHEMISTRY V. 50 4638 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EMO A:302;
A:303;
B:302;
B:303;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
270.237 C15 H10 O5 Cc1cc...
NDP A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
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 247 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 (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
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+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
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: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2RH4; Ligand: EMO; Similar sites found: 296
This union binding pocket(no: 1) in the query (biounit: 2rh4.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.01666 0.46788 None
2 2E1A MSE 0.001328 0.46638 None
3 3KPE TM3 0.01535 0.43321 None
4 2GN3 MMA 0.04236 0.41757 None
5 2GN3 MAN 0.0461 0.41353 None
6 1SS4 CIT 0.04265 0.40965 None
7 3F81 STT 0.00118 0.5124 1.0929
8 3KO8 NAD 0.00000001443 0.51199 1.80505
9 1EZ4 NAD 0.0003166 0.46762 1.80505
10 3ZPG 5GP 0.02369 0.44127 1.80505
11 4ORR PE3 0.001563 0.41428 2.10526
12 3A4V NAD 0.00000003197 0.51923 2.16606
13 4GLL NAD 0.00000006534 0.49373 2.16606
14 2F1K NAP 0.0001283 0.48404 2.16606
15 2F2U M77 0.001091 0.46461 2.16606
16 3FPZ AHZ 0.0001377 0.41776 2.16606
17 1U8X NAD 0.009479 0.40573 2.16606
18 4K28 NAD 0.0003435 0.46962 2.23048
19 3GX0 GDS 0.001867 0.42847 2.32558
20 2VDV SAM 0.003611 0.45701 2.43902
21 3IPQ 965 0.0007462 0.41257 2.4735
22 4R1S NAP 0.00000001844 0.48647 2.52708
23 4PVD NDP 0.00000004903 0.47228 2.52708
24 3I6I NDP 0.00003167 0.47103 2.52708
25 2NCD ADP 0.003406 0.45912 2.52708
26 2I3G NAP 0.0002588 0.45815 2.52708
27 1XDS SAM 0.01462 0.42628 2.52708
28 1ZMD NAI 0.009652 0.40787 2.52708
29 1B63 ANP 0.005334 0.40518 2.52708
30 2AHR NAP 0.00156 0.4028 2.7027
31 4OBW SAM 0.02812 0.40273 2.72374
32 1OC2 NAD 0.0000005178 0.52093 2.88809
33 1V6A TRE 0.002696 0.48425 2.88809
34 4MDH NAD 0.0004038 0.45987 2.88809
35 1P1M MET 0.00055 0.44017 2.88809
36 4PNI KQQ 0.0003404 0.43986 2.88809
37 3SHR CMP 0.00706 0.42946 2.88809
38 1Y8Q ATP 0.005024 0.42276 2.88809
39 1M2W NAD 0.007096 0.41901 2.88809
40 4DMG SAM 0.02879 0.41464 2.88809
41 2J5V PCA 0.04107 0.40953 2.88809
42 2O2C G6Q 0.0185 0.40053 2.88809
43 4Q0A 4OA 0.001277 0.43855 2.98013
44 1HDG NAD 0.00091 0.45161 3.2491
45 2Z9V PXM 0.01072 0.43054 3.2491
46 4DEM YS4 0.0001328 0.4195 3.2491
47 2O4J VD4 0.001322 0.41361 3.2491
48 4ASJ N6A 0.002528 0.41345 3.2491
49 3FC4 EDO 0.00004933 0.41165 3.2491
50 1W7J ADP BEF 0.004466 0.42148 3.31126
51 4QTU SAM 0.004365 0.43787 3.36538
52 3RFV NAI 0.0000002601 0.46552 3.37079
53 3RFV 15L 0.000001409 0.43993 3.37079
54 1Z45 NAD 0.00000007961 0.60138 3.61011
55 2YY7 NAD 0.0000001111 0.4875 3.61011
56 2GZ3 NAP 0.0003231 0.42236 3.61011
57 1PZG A3D 0.001176 0.41759 3.61011
58 1Z45 UPG 0.01806 0.41196 3.61011
59 3TLJ SAH 0.01651 0.40536 3.61011
60 2PD4 DCN 0.00000156 0.46971 3.63636
61 2PD4 NAD 0.000001728 0.46847 3.63636
62 2HJR APR 0.00005396 0.51243 3.65854
63 3G2O SAM 0.003741 0.44453 3.67893
64 1RPN NDP 0.0000007711 0.53599 3.97112
65 3BAZ NAP 0.0004697 0.46384 3.97112
66 4DPL NAP 0.0005629 0.4478 3.97112
67 2B5W NAP 0.0008087 0.42825 3.97112
68 2JJQ SAH 0.01682 0.42318 3.97112
69 1SJD NPG 0.00132 0.41991 3.97112
70 1LVL NAD 0.009192 0.41974 3.97112
71 1GQ2 NAP 0.003739 0.41746 3.97112
72 3GGO NAI 0.0004272 0.40859 3.97112
73 1NPD NAD 0.01404 0.40335 3.97112
74 3AXB FAD 0.003178 0.40205 3.97112
75 2V0U FMN 0.02426 0.40581 4.10959
76 4NEC SAH 0.006143 0.44147 4.16667
77 1IG3 VIB 0.0005267 0.41719 4.18251
78 1UDB NAD 0.0000000774 0.54323 4.33213
79 2C29 NAP 0.0000001042 0.52638 4.33213
80 2C29 DQH 0.0000002241 0.5159 4.33213
81 1I2B NAD 0.00000117 0.50801 4.33213
82 1E7S NAP 0.00000003565 0.5024 4.33213
83 1I2B UPG 0.00000001641 0.49529 4.33213
84 1I2B USQ 0.00000001641 0.49529 4.33213
85 1UDB UFG 0.00000001229 0.49409 4.33213
86 2V6G NAP 0.00000007725 0.48871 4.33213
87 1WDA BAG 0.004488 0.4428 4.33213
88 4P4T GDP 0.001655 0.43427 4.33213
89 4MP8 MLI 0.000002523 0.42125 4.33213
90 2RL1 UD1 0.001006 0.42063 4.33213
91 3A27 SAM 0.01199 0.42046 4.33213
92 3OND ADN 0.0000348 0.40994 4.33213
93 3JV7 NAD 0.00201 0.42574 4.63768
94 1ORR NAD 0.00000001485 0.51635 4.69314
95 3PLN U5P 0.007332 0.43813 4.69314
96 1PEA ACM 0.03614 0.42516 4.69314
97 3WQQ NDP 0.001223 0.40844 4.69314
98 3K37 BCZ 0.0003205 0.40707 4.69314
99 9LDB NAD 0.00007951 0.40115 4.69314
100 9LDT NAD 0.00008975 0.40048 4.69314
101 1G8S MET 0.0499 0.40783 4.78261
102 4F8L GAL 0.03941 0.44313 4.82759
103 3MAG SAH 0.0008702 0.44078 5.05415
104 3LST SAH 0.003368 0.45854 5.41516
105 3DGB MUC 0.0015 0.45355 5.41516
106 1LDM NAD 0.0005358 0.44866 5.41516
107 1T26 GBD 0.0002015 0.42089 5.41516
108 1MO9 FAD 0.004553 0.40237 5.41516
109 1K97 ASP 0.0006678 0.40145 5.41516
110 1K97 CIR 0.0006678 0.40145 5.41516
111 1UXG FUM 0.000004398 0.4175 5.50162
112 1UXG NAD 0.0001995 0.41044 5.50162
113 2Q37 3AL 0.001299 0.47895 5.52486
114 3A2Y TS5 0.008248 0.41108 5.58376
115 2IYG FMN 0.0006907 0.46774 5.64516
116 4COQ SAN 0.003147 0.46695 5.77617
117 1VKO NAD 0.001819 0.42234 5.77617
118 1YRX FMN 0.01905 0.40337 5.78512
119 1BXK NAD 0.00000005583 0.48554 6.13718
120 3ABI NAD 0.00009846 0.47801 6.13718
121 2C5S AMP 0.002066 0.45783 6.13718
122 2QV7 ADP 0.00162 0.44292 6.13718
123 3GFB NAD 0.001423 0.43734 6.13718
124 2IXB NAD 0.0009077 0.43673 6.13718
125 1NYT NAP 0.00214 0.43579 6.13718
126 2IXB A2G 0.0008962 0.41955 6.13718
127 3LJU IP9 0.0313 0.41845 6.13718
128 3VYW SAM 0.01099 0.41619 6.13718
129 1LOR BMP 0.001536 0.40574 6.14035
130 2FR1 NDP 0.000000002278 0.53503 6.17284
131 2BKA NDP 0.000002679 0.43714 6.19835
132 3GDH SAH 0.00789 0.41425 6.22407
133 1HDO NAP 0.000001651 0.466 6.31068
134 1N7G GDR 0.0000005078 0.52121 6.4982
135 1RZM E4P 0.0007316 0.50572 6.4982
136 1N7G NDP 0.00001266 0.48574 6.4982
137 3A1I UNU 0.0006638 0.47395 6.4982
138 2BH9 NAP 0.003593 0.453 6.4982
139 2RHQ GAX 0.0004286 0.44401 6.4982
140 1RZM PEP 0.005908 0.44245 6.4982
141 3P3N AKG 0.01701 0.43102 6.4982
142 2GJN FMN 0.001277 0.4172 6.4982
143 2VHL GLP 0.04399 0.41187 6.4982
144 2GJN NIS 0.002308 0.40295 6.4982
145 1V35 NAI 0.000001232 0.48699 6.85921
146 2JGS BTN 0.001185 0.47759 6.92308
147 1TUV VK3 0.04395 0.42643 7.01754
148 1O9U ADZ 0.00413 0.48277 7.22022
149 3M89 GSP 0.03167 0.41247 7.22022
150 3DMH SAM 0.01795 0.40638 7.22022
151 3DMH GMP 0.009783 0.40278 7.22022
152 1SB8 UD2 0.00000001325 0.56983 7.38636
153 1SB8 NAD 0.00000002234 0.55661 7.38636
154 2C5A NAD 0.0000003143 0.52574 7.58123
155 1CER NAD 0.000248 0.47206 7.58123
156 4E28 9MZ 0.01119 0.43995 7.58123
157 4E28 0MZ 0.01381 0.43026 7.58123
158 2V5E SCR 0.007072 0.47834 7.92079
159 1WVG APR 0.00000006503 0.46586 7.94224
160 1Y42 TYR 0.001939 0.46468 7.94224
161 2GN4 NDP 0.00000003995 0.40679 7.94224
162 2GN4 UD1 0.00000003195 0.40417 7.94224
163 3OA2 NAD 0.001949 0.42894 8.30325
164 3MJE NDP 0.0000000003505 0.5467 8.46774
165 3WMX NAD 0.0000003377 0.59204 8.66426
166 2Q1S NAI 0.000003547 0.47778 8.66426
167 1BW9 NAD 0.0005411 0.47208 8.66426
168 2HYV UAP SGN IDS SGN IDS 0.009405 0.45517 8.66426
169 1C1X NAD 0.001481 0.43955 8.66426
170 2DTJ THR 0.04758 0.40648 8.98876
171 1V7R CIT 0.0401 0.43521 9.13978
172 2X6T NAP 0.000001268 0.45059 9.38628
173 2EXX NAP 0.0000499 0.41847 9.38628
174 1TB4 PEJ 0.002503 0.42194 9.74729
175 1E3I CXF 0.001117 0.42069 9.74729
176 3BY8 MLT 0.007148 0.45564 9.85915
177 1N9L FMN 0.0007934 0.44641 10.0917
178 1EK6 UPG 0.0000003963 0.52479 10.1083
179 1VL0 NAI 0.000000005263 0.49536 10.1083
180 2Q1W NAD 0.0000002129 0.48258 10.1083
181 4GGZ BTN 0.02486 0.42159 10.4348
182 1GY8 NAD 0.0000001664 0.47904 10.4693
183 1KEW NAD 0.0000006904 0.512 10.5263
184 1KEW TYD 0.0000007165 0.51022 10.5263
185 4F4S EFO 0.02134 0.41672 10.5263
186 4OOE NDP 0.0006201 0.45539 10.8303
187 1G55 SAH 0.004842 0.43578 10.8303
188 1C1L GAL BGC 0.02344 0.4294 10.9489
189 2QLX RM4 0.008611 0.45154 11.1111
190 2AQJ TRP 0.00002219 0.42382 11.1913
191 1MXI SAH 0.01301 0.40013 11.25
192 3LU1 NAD 0.000000006875 0.64382 11.2637
193 1YOA FAD 0.001546 0.42426 11.3208
194 1R6D DAU 0.0000005626 0.51616 11.5523
195 1R6D NAD 0.0000007307 0.51361 11.5523
196 1EQ2 NAP 0.0000008033 0.4553 12.6354
197 1JG3 ADN 0.02583 0.4045 12.766
198 4BJZ FAD 0.0001063 0.41637 13.7184
199 4BJZ P3A 0.0001063 0.41637 13.7184
200 2Q46 NAP 0.0000002218 0.47272 14.2292
201 3EGV SAH 0.01209 0.42351 14.8014
202 2NXE SAM 0.01273 0.41922 14.8014
203 4HXY NDP 0.0000000003506 0.55383 15.5235
204 4Q9N NAI 0.000000265 0.47893 15.8845
205 3S9K CIT 0.002417 0.52157 16.1017
206 3SQP FAD 0.01421 0.40804 16.2455
207 1D7O NAD 0.000001597 0.52069 16.6065
208 1D7O TCL 0.00000000433 0.41381 16.6065
209 1EJE FMN 0.003276 0.42298 17.3285
210 1RV0 DAN 0.03492 0.4039 17.5
211 4TQG NDP 0.000000001261 0.52703 18.7726
212 1FK8 NAD 0.00000000003007 0.5456 19.0661
213 2PZM NAD 0.000004745 0.47385 19.1336
214 1RKX NAD 0.000000001597 0.66279 20.2166
215 4PIV NDP 0.0000003502 0.47341 20.9386
216 2PR5 FMN 0.0006781 0.449 21.2121
217 2PP3 LGT 0.001054 0.45506 23.1047
218 1HDR NAD 0.00008438 0.44138 23.3607
219 2DT5 NAD 0.001105 0.43894 23.6967
220 3ORF NAD 0.0000003748 0.46192 24.7012
221 2FYU FDN 0.001585 0.43498 29.4872
222 4J1Q NDP 0.0000000144 0.49532 29.9639
223 3CH6 311 0.0000000001566 0.64542 30.6859
224 4K26 SFF 0.00000000008709 0.60758 31.5217
225 4K26 NDP 0.0000000002594 0.55553 31.5217
226 1NNU NAD 0.0000000536 0.50685 31.6667
227 1NNU TCT 0.00000005563 0.50643 31.6667
228 1GZ6 NAI 0.000000004558 0.6449 31.769
229 4O1M NAD 0.0000001777 0.47789 32.13
230 4O0L NDP 0.000000000004491 0.60058 32.3636
231 1XSE NDP 0.000000000004625 0.65075 32.491
232 1OAA OAA 0.00000000004397 0.63332 32.8185
233 2PK3 A2R 0.00000003358 0.44369 33.6449
234 3RJ5 NAD 0.00000000005718 0.6093 33.8583
235 1ZBQ NAD 0.0000000006655 0.54818 33.935
236 1Z6Z NAP 0.000000003586 0.52315 34.657
237 1N5D NDP 0.0000000001255 0.5648 35.7401
238 1WMA AB3 0.0000000001248 0.61877 35.8696
239 3O26 NDP 0.00000000001223 0.58413 36.1011
240 3WXB NDP 0.00008058 0.51359 36.2007
241 1SNY NAP 0.0000000009198 0.52071 36.7041
242 3OJF IMJ 0.0000003648 0.50407 37.7432
243 3OJF NDP 0.0000002963 0.48962 37.7432
244 3OIG NAD 0.0000007016 0.45352 37.9699
245 1W8D NAP 0.000000000003077 0.56007 38.0795
246 1W73 NAP 0.000000000006602 0.55383 38.0795
247 3HB5 NAP 0.00000000000442 0.65213 38.2671
248 1A27 NAP 0.0000000001371 0.55845 38.2671
249 3HB5 E2B 0.0001665 0.48687 38.2671
250 3RKR NAP 0.00000004579 0.40206 38.9892
251 1W6U NAP 0.000000000008994 0.55034 39.0728
252 1BDB NAD 0.0000000002238 0.68324 39.3502
253 1QG6 NAD 0.000000964 0.49612 39.4636
254 4IXW IXW 0.005733 0.46006 39.7638
255 3ZV6 4HB 0.00000000001408 0.64457 40.4332
256 3ZV6 NAD 0.00000000001258 0.64171 40.4332
257 3TN7 NJP 0.0000000000004979 0.62683 40.856
258 1E3W NAD 0.0000000000001579 0.82889 42.5287
259 2WYV NAD 0.000007747 0.43681 42.5287
260 2BD0 NAP 0.0000000000002022 0.6422 42.623
261 2WD7 NAP 0.000000005868 0.50833 42.9104
262 1MXH DHF 0.000000004071 0.55306 43.1159
263 1MXH NAP 0.000000007587 0.54528 43.1159
264 3AFN NAP 0.000000000002475 0.6216 43.7985
265 1XG5 NAP 0.00000000001612 0.74119 44.0433
266 3GEG NAD 0.000000000006093 0.57422 44.5344
267 3U4C NDP 0.00000000008656 0.55097 44.8399
268 2DKN NAI 0.0000000000005878 0.60997 45.098
269 4FC7 NAP 0.0000000001381 0.61274 45.4874
270 3OID NDP 0.00000000001648 0.59872 45.7364
271 2AE2 PTO 5.734e-20 0.72948 45.7692
272 2AE2 NAP 0.0000000000000876 0.70274 45.7692
273 3JQA NAP 0.000000005564 0.66007 45.8484
274 3BMQ NAP 0.000000002705 0.65998 45.8484
275 3JQG NAP 0.000000007013 0.65593 45.8484
276 3JQF NAP 0.000000003683 0.65463 45.8484
277 3V1U NAD 0.00000000002489 0.54806 45.8484
278 3JQ8 NAP 0.000000003119 0.52025 45.8484
279 3BMN NAP 0.000000003179 0.51961 45.8484
280 3JQ9 NAP 0.000000006213 0.51353 45.8484
281 3BMO NAP 0.00000000467 0.51063 45.8484
282 3JQB NAP 0.00000000717 0.50012 45.8484
283 4CMI NAP 0.0007854 0.47654 45.8484
284 4CM4 NAP 0.0008163 0.47579 45.8484
285 5JCJ NAP 0.0008353 0.47535 45.8484
286 4OSP NAP 0.000000000002215 0.59082 46.0076
287 2EWM NAD 0.000000000001267 0.61483 46.5863
288 4ITU 1HS 0.000000000002113 0.67024 47.5836
289 4ITU NAI 0.00000000002236 0.59336 47.5836
290 1G0N PHH 0.0000000000002118 0.69573 48.0144
291 1G0N NDP 0.00000000000009026 0.69019 48.0144
292 1NFQ NAI 0.0000000000003463 0.63658 48.0769
293 2JAH NDP 0.0000000000002321 0.63192 48.1781
294 3D3W NAP 0.0000000001652 0.56016 48.3607
295 2WSB NAD 0.0000000000001931 0.6922 48.4252
296 1ZEM NAD 0.0000000000259 0.5539 49.2366
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