Receptor
PDB id Resolution Class Description Source Keywords
4EM3 1.98 Å EC: 1.8.1.14 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS BOUND WITH THE CO INHIBITOR MEVS-COA STAPHYLOCOCCUS AUREUS SUBSP. AUREUS OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: TURNOVER-DEPENDENT COVALENT INACTIVATION OF STAPHYL AUREUS COENZYME A-DISULFIDE REDUCTASE BY COENZYME A-MIMETICS: MECHANISTIC AND STRUCTURAL INSIGHTS. BIOCHEMISTRY V. 51 7699 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA6 A:507;
B:509;
Invalid;
Part of Protein;
none;
none;
submit data
841.613 C24 H42 N7 O18 P3 S CC(C)...
CL A:504;
A:505;
A:506;
B:504;
B:505;
B:506;
B:507;
B:508;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FAD A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:502;
A:503;
B:502;
B:503;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YQZ 1.54 Å EC: 1.8.1.14 STRUCTURE OF COENZYME A-DISULFIDE REDUCTASE FROM STAPHYLOCOCCUS AUREUS REFINED AT 1.54 ANGSTROM RESOLUTION STAPHYLOCOCCUS AUREUS OXIDOREDUCTASE
Ref.: STRUCTURE OF COENZYME A-DISULFIDE REDUCTASE FROM STAPHYLOCOCCUS AUREUS AT 1.54 A RESOLUTION. BIOCHEMISTRY V. 45 11278 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4EQR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4EMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4EQW - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 1YQZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4EM3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4EQX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 4EQS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4EQR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4EMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4EQW - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 1YQZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4EM3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4EQX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 4EQS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4EQR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EM4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4EMW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4EQW - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 1YQZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4EM3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 4EQX - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 4EQS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YQZ; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yqz.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YQZ; Ligand: FAD; Similar sites found: 470
This union binding pocket(no: 2) in the query (biounit: 1yqz.bio1) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UOY NAP 0.0003339 0.41306 1.36986
2 1YKJ FAD 0.00002147 0.44507 1.52284
3 1YKJ PHB 0.00002147 0.43343 1.52284
4 5BR7 FAD 0.0004101 0.40027 1.52672
5 3G5S FAD 0.00000009739 0.45374 1.59817
6 3A25 SAM 0.00268 0.46126 1.66113
7 4K5S FAD 0.00000001147 0.6351 1.82648
8 4K5S PM0 0.000001911 0.49645 1.82648
9 2R4J FAD 0.0000568 0.44216 1.82648
10 2R4J 13P 0.0000568 0.44216 1.82648
11 3QVP FAD 0.0000114 0.42337 1.82648
12 5EB4 FAD 0.00001051 0.41608 1.82648
13 3GDN HBX 0.00006512 0.41581 1.82648
14 3GDN FAD 0.00001839 0.41477 1.82648
15 5UAO FAD 0.00001427 0.40837 1.82648
16 3DXY SAM 0.00548 0.46145 1.83486
17 5E8J SAH 0.001707 0.48356 1.92308
18 5LD5 NAD 0.0004929 0.48094 1.95531
19 2X3N FAD 0.0000001928 0.56909 2.00501
20 4RPL FAD 0.0003351 0.41076 2.00501
21 4RPL 3UC 0.0004819 0.40832 2.00501
22 2PV7 NAD 0.0007562 0.45923 2.01342
23 3WE0 FAD 0.000001548 0.51463 2.05479
24 4HA6 FAD 0.000004251 0.49951 2.05479
25 5MQ6 NDP 0.0003848 0.48582 2.05479
26 5THY SAH 0.007215 0.43384 2.05479
27 2RGO FAD 0.00001824 0.40122 2.05479
28 3QV1 NAD 0.0002853 0.48421 2.07715
29 5MPT SAH 0.006382 0.44285 2.17391
30 2EB5 OXL 0.0447 0.42416 2.24719
31 3LRE ADP 0.02312 0.43426 2.25352
32 1PN0 FAD 0.0000005521 0.517 2.28311
33 1PN0 IPH 0.00000102 0.50528 2.28311
34 1IM8 SAI 0.001328 0.46845 2.28311
35 4DMG SAM 0.002608 0.47852 2.29008
36 2O07 MTA 0.00176 0.44362 2.30263
37 2O07 SPD 0.002323 0.43316 2.30263
38 5BVA FAD 0.00000004977 0.56224 2.44499
39 4REP FAD 0.0000006075 0.54285 2.51142
40 5WGR FAD 0.000001381 0.52639 2.51142
41 1D4D FAD 0.00000007025 0.47776 2.51142
42 1Q9I FAD 0.000003045 0.47178 2.51142
43 1Q9I TEO 0.000003045 0.47178 2.51142
44 1O0S NAI 0.002728 0.44719 2.51142
45 4YNU LGC 0.00002717 0.42332 2.51142
46 4YNU FAD 0.00001448 0.42238 2.51142
47 2IXB NAD 0.004555 0.41873 2.51142
48 3OA2 NAD 0.008648 0.41183 2.51572
49 5AHO TLA 0.001202 0.50103 2.67857
50 1E3W NAD 0.004528 0.42119 2.68199
51 1E6W NAD 0.01143 0.40455 2.69231
52 1I0Z NAI 0.001536 0.44057 2.7027
53 1G6H ADP 0.03899 0.41908 2.72374
54 5TTJ FAD 0.0000009839 0.53525 2.73973
55 4EIP FAD 0.000003755 0.49253 2.73973
56 1NAA 6FA 0.000009677 0.4872 2.73973
57 4EIP K2C 0.000003755 0.43963 2.73973
58 1NAA ABL 0.000131 0.42884 2.73973
59 5KVS NAP 0.00769 0.42397 2.73973
60 4AP3 NAP 0.00009838 0.42395 2.73973
61 4AP3 FAD 0.00009838 0.42031 2.73973
62 5KVS 6XR 0.003321 0.41965 2.73973
63 5E4R NAP 0.006742 0.41637 2.73973
64 3ICC NAP 0.005956 0.41177 2.7451
65 5DN9 NAD 0.0021 0.42751 2.74725
66 2NXE SAM 0.004226 0.45161 2.75591
67 3U31 NAD 0.01231 0.42007 2.75862
68 3AYI FAD 0.000003519 0.45424 2.77393
69 3AYI HCI 0.000004252 0.45379 2.77393
70 4D7E FAD 0.00001931 0.49769 2.7972
71 5H81 NAP 0.006501 0.43294 2.82776
72 1XG5 NAP 0.008464 0.40776 2.86738
73 2BD0 NAP 0.01114 0.40085 2.86885
74 1W62 PYC 0.04629 0.4226 2.89855
75 1EQ2 NAP 0.001796 0.44046 2.90323
76 3VPH OXM 0.001151 0.43291 2.90323
77 3VPH NAD 0.001716 0.43097 2.90323
78 3WBF NAP 0.002593 0.43378 2.95082
79 3WBF API 0.004175 0.41572 2.95082
80 5JWC FAD 0.00000000006955 0.70967 2.96804
81 1PS9 FAD 0.00000001725 0.49119 2.96804
82 4FWE FAD 0.000000419 0.46062 2.96804
83 2DKH FAD 0.00000007221 0.44537 2.96804
84 2DKH 3HB 0.0000006671 0.44209 2.96804
85 5MBX SP5 0.00003722 0.42797 2.96804
86 5MBX FAD 0.00003722 0.42797 2.96804
87 1RP0 AHZ 0.0000003123 0.42093 2.96804
88 1N4W FAD 0.00002096 0.41685 2.96804
89 4USR FAD 0.000002889 0.40841 2.96804
90 4NS3 NAD 0.04693 0.40016 2.96804
91 1W73 NAP 0.005256 0.43137 2.98013
92 4NEC SAH 0.02056 0.42409 3.0303
93 5EZ7 FAD 0.00001698 0.49035 3.06122
94 1GEG NAD 0.00819 0.41055 3.125
95 1A5Z NAD 0.0002048 0.50235 3.1348
96 1VKO NAD 0.00945 0.40372 3.16574
97 2I7C AAT 0.002639 0.42359 3.18021
98 2GV8 FAD 0.0000005235 0.56529 3.19635
99 5EVY FAD 0.00007012 0.51938 3.19635
100 2GV8 NDP 0.0007921 0.46809 3.19635
101 2GVC FAD 0.0000003195 0.42986 3.19635
102 1VQW FAD 0.0000003587 0.42829 3.19635
103 2CFC NAD 0.01507 0.40167 3.2
104 5X62 SAH 0.01744 0.42452 3.20197
105 4GUS FAD 0.0000002586 0.46771 3.22581
106 4GUT FAD 0.0000005038 0.46557 3.22581
107 4HSU FAD 0.0000003927 0.46355 3.22581
108 5FA5 MTA 0.007138 0.44752 3.26975
109 4X9M FAD 0.000002029 0.5204 3.34928
110 3FPF MTA 0.0008176 0.42926 3.3557
111 3FPF TNA 0.0008176 0.42926 3.3557
112 4RSL FAD 0.00002608 0.49276 3.37079
113 5LDQ NAP 0.04429 0.42403 3.38983
114 5MGZ SAH 0.01539 0.42113 3.38983
115 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02548 0.43769 3.40136
116 1XCL SAH 0.002081 0.43008 3.40426
117 5EOW FAD 0.00000001513 0.62513 3.42466
118 4Z24 FAD 0.000008895 0.49138 3.42466
119 3GFB NAD 0.003297 0.43202 3.42466
120 1QMG APX 0.02312 0.40485 3.42466
121 1Q7B NAP 0.0122 0.40338 3.42466
122 1ZEM NAD 0.004428 0.42918 3.43511
123 5HS2 CTP 0.04722 0.40547 3.44828
124 1LLU NAD 0.002593 0.4216 3.50877
125 4RW3 PLM 0.04501 0.43356 3.64238
126 4TXI FAD 0.00000005564 0.61311 3.65297
127 2IVD FAD 0.0000008554 0.54887 3.65297
128 2YG3 FAD 0.0000009434 0.53232 3.65297
129 2BRY FAD 0.00000005408 0.44615 3.65297
130 3S5W FAD 0.00000007252 0.43699 3.65297
131 2VDV SAM 0.008241 0.4481 3.65854
132 3G2O SAM 0.003228 0.45732 3.67893
133 5U5G NAP 0.009243 0.41061 3.72881
134 3GDH SAH 0.002004 0.45009 3.73444
135 3HDY GDU 0.0003312 0.40296 3.77834
136 3HDY FAD 0.0003448 0.40246 3.77834
137 3HDY FDA 0.0003964 0.40076 3.77834
138 4RDH AMP 0.00004962 0.55701 3.81944
139 1GEE NAD 0.003723 0.4247 3.83142
140 3LU1 NAD 0.009023 0.40663 3.84615
141 3E1T FAD 0.00000001243 0.49675 3.88128
142 1E1M NAP 0.0000008393 0.49652 3.88128
143 1E1M FAD 0.0000008393 0.49652 3.88128
144 1COY FAD 0.00002553 0.47817 3.88128
145 1YY5 FAD 0.0000001786 0.47399 3.88128
146 5MZI FAD 0.000003604 0.46489 3.88128
147 1RSG FAD 0.0000003115 0.46124 3.88128
148 5MZI FYK 0.000003902 0.46056 3.88128
149 5CX8 TG6 0.01028 0.45807 3.88128
150 1GQ2 NAP 0.001772 0.44072 3.88128
151 4TM3 FAD 0.00008599 0.43138 3.88128
152 2WET FAD 0.000007823 0.42284 3.88128
153 5KOK SAH 0.01922 0.41647 3.88128
154 4OBW SAM 0.004748 0.44913 3.89105
155 4KOA NDP 0.004234 0.45522 3.9039
156 1E6E FAD 0.00000003748 0.46402 3.90625
157 5FTW SAH 0.03174 0.40334 3.90625
158 1HKU NAD 0.0004026 0.46156 3.91061
159 1HDG NAD 0.0004131 0.47715 3.91566
160 2AWN ADP 0.01824 0.43291 3.93701
161 5FJN BE2 0.000002111 0.44528 3.94737
162 5FJN FAD 0.000001568 0.44051 3.94737
163 3WGT FAD 0.00001902 0.4255 4.03458
164 3WGT QSC 0.0000224 0.4255 4.03458
165 3ZNN 4WL 0.0002941 0.40578 4.03458
166 3ZNN FAD 0.0002941 0.40578 4.03458
167 3JV7 NAD 0.001071 0.44703 4.05797
168 1QO8 FAD 0.00000003587 0.48227 4.0636
169 4M38 SAH 0.0008291 0.47807 4.08163
170 2HJR APR 0.0002706 0.49276 4.10959
171 4C3Y FAD 0.000003916 0.42975 4.10959
172 4C3Y ANB 0.0000228 0.41991 4.10959
173 4JNA FAD 0.0000001259 0.47067 4.11765
174 3OFK SAH 0.001369 0.46424 4.16667
175 1RYI FAD 0.000005934 0.42382 4.18848
176 2Q1W NAD 0.00297 0.42389 4.2042
177 1CER NAD 0.0001298 0.49544 4.22961
178 2F1K NAP 0.0001886 0.48842 4.30108
179 4D79 ATP 0.00009812 0.53133 4.34783
180 2FK8 SAM 0.0184 0.41462 4.40252
181 1H2B NAJ 0.002615 0.42375 4.45682
182 4K28 NAD 0.0006055 0.46986 4.46097
183 2B9W FAD 0.00009058 0.41902 4.48113
184 3NKS FAD 0.00000127 0.53857 4.56621
185 1GTE FAD 0.000002322 0.46718 4.56621
186 2Z3Y F2N 0.00000144 0.44714 4.56621
187 5JE8 NAD 0.0007212 0.46652 4.63576
188 5I39 FAD 0.000001437 0.53287 4.65686
189 3ABI NAD 0.002109 0.4349 4.65753
190 1VBO MAN MAN MAN 0.0443 0.42313 4.69799
191 3NYC FAD 0.000009849 0.46836 4.72441
192 3NYC IAR 0.000009849 0.46836 4.72441
193 2RGJ FAD 0.00000001032 0.46349 4.72637
194 1DL5 SAH 0.003359 0.43437 4.73186
195 1J5P NAD 0.0009386 0.45524 4.74308
196 3V1Y NAD 0.0001164 0.49748 4.74777
197 3EGV SAH 0.002253 0.46886 4.7619
198 5F8F SFG 0.008644 0.44329 4.77454
199 5TS5 FAD 0.0000007788 0.53175 4.79452
200 1KNR FAD 0.0000002862 0.45269 4.79452
201 1H82 FAD 0.00002035 0.44936 4.79452
202 2IID PHE 0.00002728 0.44767 4.79452
203 2IID FAD 0.00002728 0.44767 4.79452
204 1REO FAD 0.0000005256 0.44638 4.79452
205 1H82 GZZ 0.00003678 0.43732 4.79452
206 1Z45 NAD 0.0066 0.41443 4.79452
207 4ITU NAI 0.006084 0.40925 4.83271
208 3GF4 FAD 0.0002554 0.41805 4.87179
209 3GF4 UPG 0.0002472 0.41315 4.87179
210 5BUK FAD 0.00000002357 0.49294 4.88889
211 1H5Q NAP 0.003697 0.42732 4.90566
212 5GZ6 NDP 0.002183 0.45829 4.90798
213 5GZ6 7C3 0.003512 0.4422 4.90798
214 4BJZ P3A 0.00002592 0.44855 4.95283
215 4DPL NAP 0.004484 0.42137 5.01393
216 4MOP 2H5 0.00002266 0.45462 5.02283
217 4YCA NDP 0.000307 0.47928 5.10204
218 1KEV NDP 0.004118 0.41378 5.12821
219 4ZRN NAD 0.009042 0.40046 5.12821
220 4NBU NAI 0.006846 0.41152 5.2
221 4CMI NAP 0.008474 0.4122 5.20833
222 5JCJ NAP 0.008736 0.41164 5.20833
223 3JQF NAP 0.007742 0.41156 5.20833
224 3BMQ NAP 0.008169 0.41059 5.20833
225 3BMO NAP 0.00935 0.4104 5.20833
226 5JDC NAP 0.009439 0.41023 5.20833
227 4CM8 NAP 0.009685 0.40976 5.20833
228 3JQA NAP 0.01105 0.40962 5.20833
229 3JQB NAP 0.01134 0.40913 5.20833
230 4CM4 NAP 0.01005 0.40908 5.20833
231 4CM9 NAP 0.008962 0.40893 5.20833
232 4CLR NAP 0.01052 0.40824 5.20833
233 3JQG NAP 0.01202 0.40805 5.20833
234 4CME NAP 0.01142 0.40676 5.20833
235 1OBB NAD 0.004241 0.43554 5.25114
236 3UCL NAP 0.0001132 0.42781 5.25114
237 3UCL FAD 0.0001091 0.42594 5.25114
238 3UCL CYH 0.0001091 0.42594 5.25114
239 5E1M SAH 0.007821 0.43219 5.39419
240 1JQ3 AAT 0.0009951 0.44031 5.40541
241 1BDB NAD 0.008841 0.40283 5.41516
242 2VVL FAD 0.00000242 0.51434 5.47945
243 2VVM FAD 0.000001367 0.44093 5.47945
244 5OCA 9QZ 0.01271 0.45027 5.52995
245 1WP4 NDP 0.00255 0.43677 5.53633
246 1G55 SAH 0.009689 0.43081 5.53936
247 3OZ2 FAD 0.00000004632 0.5792 5.54156
248 2ZL4 ALA ALA ALA ALA 0.03555 0.4253 5.61225
249 4XYB NDP 0.008144 0.40223 5.6266
250 5GWX SAR 0.007095 0.42031 5.6338
251 5GWX SAM 0.007095 0.42031 5.6338
252 5N53 8NB 0.02534 0.43956 5.64103
253 4ZCC NAI 0.000009869 0.46833 5.65476
254 4ZCC FAD 0.000009869 0.46833 5.65476
255 3IHG FAD 0.00000002931 0.43562 5.70776
256 4DSG UDP 0.0003402 0.4082 5.70776
257 4DSG FAD 0.0003402 0.40498 5.70776
258 3BRN SRO 0.04024 0.42784 5.73248
259 3SJU NDP 0.006549 0.41231 5.73477
260 1JGS SAL 0.0195 0.43591 5.7971
261 2JJQ SAH 0.00133 0.48916 5.88235
262 4CNK FAD 0.00000006854 0.46341 5.88235
263 1GPE FAD 0.00001638 0.47392 5.93607
264 2VWA PTY 0.01092 0.46543 5.94059
265 3R9V DXC 0.04389 0.40063 5.94406
266 3G89 SAM 0.00259 0.47417 6.0241
267 2EWM NAD 0.004261 0.41991 6.0241
268 4O0L NDP 0.006084 0.41361 6.18182
269 1MUU NAD 0.0001919 0.49177 6.19266
270 4XDY NAI 0.002154 0.44271 6.21302
271 1F3L SAH 0.01238 0.41996 6.23053
272 1F8G NAD 0.005357 0.43683 6.25
273 3GMB FAD 0.00000009231 0.44589 6.26506
274 1EZ4 NAD 0.0008748 0.45964 6.28931
275 4MIG G3F 0.00001439 0.42898 6.39269
276 1HYH NAD 0.000262 0.46913 6.47249
277 4CJX NAP 0.001948 0.44756 6.58307
278 1NPD NAD 0.002326 0.4472 6.59722
279 3A27 SAM 0.001208 0.47816 6.61765
280 2GMH FAD 0.0000003647 0.5434 6.621
281 5J7X FAD 0.00002239 0.489 6.621
282 4D04 NAP 0.0002404 0.41423 6.621
283 4D04 FAD 0.0002404 0.40409 6.621
284 1DCP HBI 0.01904 0.44593 6.73077
285 4D3F NAP 0.003043 0.4482 6.77419
286 5G3U FDA 0.0000007644 0.54296 6.85579
287 5G3U ITW 0.00001753 0.47559 6.85579
288 5LOG SAH 0.002591 0.4583 6.86695
289 2JB2 FAD 0.00000765 0.50292 6.95297
290 2JB2 PHE 0.00000948 0.49642 6.95297
291 1UAY ADN 0.00722 0.45108 7.02479
292 4OPC PGT 0.0001074 0.44743 7.07763
293 5JJR SAH 0.00535 0.4466 7.07763
294 4OPC FDA 0.00009111 0.44587 7.07763
295 2C7G FAD 0.00001097 0.44504 7.07763
296 2C7G ODP 0.00000934 0.44504 7.07763
297 1UWK NAD 0.002176 0.40257 7.07763
298 1UWK URO 0.002176 0.40257 7.07763
299 5CAE COA 0.002447 0.44622 7.08861
300 3EGI ADP 0.0084 0.46503 7.28155
301 2JAP NDP 0.006341 0.41288 7.28745
302 1C3V NDP 0.008184 0.40836 7.34694
303 5DX8 SFG 0.01045 0.42063 7.44986
304 5DXA SFG 0.01068 0.42021 7.44986
305 5VKT NAP 0.01335 0.40175 7.45856
306 3AXB FAD 0.000003037 0.52444 7.53425
307 3AXB PRO 0.000009641 0.49015 7.53425
308 3WMX NAD 0.004841 0.4275 7.5419
309 3QJ4 FAD 0.0000002514 0.56073 7.60234
310 4IV9 FAD 0.000001157 0.52915 7.71993
311 5HSA FAS 0.00001627 0.48508 7.76256
312 3CV2 COA 0.04901 0.41137 7.76256
313 3LZW FAD 0.00000001641 0.47648 7.83133
314 3LZW NAP 0.000002215 0.46883 7.83133
315 1VL8 NAP 0.008548 0.40341 7.86517
316 4FN4 NAD 0.009478 0.40792 7.87402
317 1LDM NAD 0.001176 0.44536 7.90274
318 1E3I CXF 0.002886 0.41545 7.97872
319 2ZXI FAD 0.00000007876 0.58359 7.99087
320 2FR1 NDP 0.007431 0.40791 8.02469
321 3AD8 NAD 0.0000000219 0.45847 8.08081
322 2CUL FAD 0.0000009159 0.42627 8.18966
323 3T31 FAD 0.000000039 0.51319 8.23799
324 3T31 DCQ 0.00000006719 0.51078 8.23799
325 2QA1 FAD 0.000000007051 0.63277 8.4
326 2I3G NAP 0.004638 0.41841 8.52273
327 5TUK FAD 0.0000008031 0.58569 8.57843
328 3TLJ SAH 0.00354 0.44204 8.57909
329 2E5V FAD 0.0000004568 0.45739 8.6758
330 1BW9 NAD 0.0003566 0.49122 8.70786
331 1O94 ADP 0.0000001339 0.63645 8.71212
332 1I8T FAD 0.00001502 0.41007 8.71935
333 1C1X NAD 0.0004203 0.47339 8.73239
334 5CHR 4NC 0.01015 0.4635 8.75912
335 5L53 NAP 0.0205 0.40977 8.95062
336 4YSX FAD 0.000000132 0.56291 9.04255
337 5HJM MTA 0.01318 0.42438 9.09091
338 4USQ FAD 0.000004085 0.40905 9.14127
339 4MO2 FDA 0.000007828 0.50911 9.23913
340 4MO2 FAD 0.000008906 0.50373 9.23913
341 5TUF FAD 0.0000000269 0.62574 9.29095
342 5TUF TDC 0.00002422 0.4408 9.29095
343 3S1S SAH 0.00221 0.45134 9.36073
344 1NVM NAD 0.001495 0.43841 9.56522
345 4QTU SAM 0.001202 0.47428 9.62963
346 4WZ6 ATP 0.02989 0.43471 9.65517
347 1M2W NAD 0.01243 0.41719 9.73631
348 4ZGM 32M 0.0171 0.44844 9.83607
349 2EV9 SKM 0.0007158 0.44864 9.88593
350 5IN3 G1P 0.04227 0.42308 9.97506
351 5ODQ FAD 0.0000001583 0.55244 10
352 2GAG NAD 0.00000002446 0.46944 10.101
353 2GAG FAD 0.00004332 0.40986 10.101
354 2GAG FOA 0.00004929 0.40874 10.101
355 5JE0 AZ8 0.00655 0.4123 10.1215
356 5JE0 SAH 0.00655 0.4123 10.1215
357 5KKA 6V0 0.00367 0.42021 10.5769
358 3B1J NAD 0.0003662 0.46626 10.6195
359 1JNR FAD 0.00005861 0.44015 10.6667
360 3K7M FAD 0.00002937 0.44888 10.6729
361 2XVF FAD 0.000002101 0.42549 10.7306
362 4NTD FAD 0.0000001389 0.45637 10.8824
363 5V4R MGT 0.0489 0.42541 11.1111
364 4XZ3 COA 0.007284 0.42778 11.3043
365 4NTC FAD 0.00000002685 0.48396 11.3433
366 2DT5 NAD 0.0001071 0.49175 11.3744
367 4J36 FAD 0.00000001506 0.46023 11.5663
368 4J36 1HR 0.0000003288 0.4602 11.5663
369 4AT0 FAD 0.00008055 0.40629 11.6438
370 1KPG SAH 0.02166 0.40865 11.8467
371 3VYW SAM 0.0002072 0.50639 12.013
372 1Y8Q ATP 0.00003255 0.52997 12.1387
373 5L95 AMP 0.0002908 0.50379 12.5
374 3FZG SAM 0.04454 0.40679 12.5
375 2Y6Q I7T 0.000001905 0.44782 13.0137
376 2Y6Q FAD 0.00000004022 0.44735 13.0137
377 5T46 MGP 0.04325 0.42905 13.6364
378 3OU2 SAH 0.02255 0.40068 14.2202
379 3DMH SAM 0.002563 0.45501 14.4357
380 3DMH GMP 0.0046 0.42586 14.4357
381 2AQJ FAD 0.00007332 0.42679 14.684
382 2AQJ TRP 0.00006486 0.42667 14.684
383 2CB8 MYA 0.04716 0.42462 14.9425
384 3BAZ NAP 0.003884 0.43439 15.015
385 1V59 FAD 0.00000002666 0.49697 15.272
386 4LWU 20U 0.01934 0.4288 15.2941
387 2HQM FAD 0.00000001009 0.50032 15.5251
388 2XVE FAD 0.0002506 0.41208 15.5251
389 1D1T NAD 0.003146 0.42772 15.8177
390 4PW9 MSS 0.0362 0.40061 16.0377
391 4YMH SAH 0.001245 0.46976 16.25
392 3KO0 TFP 0.04702 0.41689 16.8317
393 2WPF WPF 0.000000006854 0.57692 16.895
394 2WPF FAD 0.000000006981 0.57413 16.895
395 3AB1 FAD 0.00000002745 0.58735 17.2222
396 4J56 FAD 0.000000022 0.49781 17.3516
397 1LVL NAD 0.000003533 0.58949 17.5799
398 1LVL FAD 0.00000004542 0.56743 17.5799
399 5UGW GSH 0.009445 0.45793 17.7143
400 1ZMD FAD 0.000000005577 0.59882 18.0365
401 1ZMD NAI 0.000001655 0.5824 18.0365
402 2F5Z FAD 0.000000005516 0.50801 18.0365
403 1NYT NAP 0.004044 0.43362 18.0812
404 2YVF NAD 0.000000004236 0.55276 18.3824
405 2YVF FAD 0.000000003831 0.55276 18.3824
406 2YVJ FAD 0.00000000005887 0.53576 18.3824
407 1P77 ATR 0.00081 0.52263 18.3824
408 3LAD FAD 0.00000001777 0.49284 18.4932
409 1BZL FAD 0.00000006821 0.54379 18.7215
410 2RAB FAD 0.000000005372 0.51321 18.7215
411 2RAB NAD 0.0000002358 0.50584 18.7215
412 5U8U FAD 0.0000001527 0.4874 18.7215
413 3SQP FAD 0.0000001642 0.56132 18.9498
414 5ULP KB1 0.005212 0.43153 20.1493
415 4G74 FAD 0.00000000008861 0.69951 21.1155
416 4G74 UQ5 0.0000000003404 0.6222 21.1155
417 1JG3 ADN 0.0004606 0.49858 21.7021
418 3RNM FAD 0.000000005734 0.50735 22.4138
419 2V6O FAD 0.0000006432 0.45073 22.6027
420 1FEC FAD 0.00000002229 0.50282 23.0594
421 2NVK FAD 0.00000001969 0.48943 23.516
422 1FL2 FAD 0.00000006314 0.46974 23.5484
423 3QFA FAD 0.000000004096 0.60783 24.4292
424 3ITJ FAD 0.000003125 0.44931 24.5562
425 5JCM FAD 0.000000001724 0.56676 24.6575
426 5JCM NAD 0.0000000019 0.56676 24.6575
427 5JCM ISD 0.0000000019 0.56676 24.6575
428 3GD4 NAD 0.000000003309 0.56878 24.8532
429 3GD4 FAD 0.000000001521 0.5607 24.8532
430 4BV6 FAD 0.00000000006835 0.55091 25.1521
431 5J60 FAD 0.00000001702 0.59478 25.625
432 1VDC FAD 0.000001541 0.45463 25.8258
433 2A8X FAD 0.00000001105 0.58858 25.8621
434 4M52 FAD 0.000000008626 0.50035 25.9657
435 4JDR FAD 0.00000001466 0.59275 26.0274
436 1ZK7 FAD 0.000000024 0.56914 26.1242
437 5KMS FAD 0.000000001429 0.65386 26.6667
438 5KMS NAD 0.0000002736 0.5002 26.6667
439 1GET NAP 0.0000006576 0.49457 26.7123
440 1GET FAD 0.0000005654 0.49457 26.7123
441 3FG2 FAD 0.00000000009021 0.51687 26.7327
442 5BXV MGP 0.04095 0.4231 27.2727
443 1MO9 KPC 0.0000001056 0.52786 27.6256
444 1MO9 FAD 0.0000001394 0.52328 27.6256
445 4EMI NAD 0.000000003948 0.55237 28.0822
446 4EMI FAD 0.00000000004482 0.54521 28.0822
447 4EMJ FAD 0.0000000002691 0.53093 28.0822
448 3F8D FAD 0.00004154 0.4424 28.7926
449 4UP3 FAD 0.00000006556 0.47095 28.9809
450 4YRY FAD 0.00000003679 0.57456 29.2237
451 3KLJ FAD 0.000000000008489 0.53662 29.2237
452 4YRY NAD 0.000000758 0.49789 29.2237
453 1TDF FAD 0.0000002929 0.47262 29.4304
454 1TDF NAP 0.00001625 0.45463 29.4304
455 3LXD FAD 0.000000000002602 0.55794 29.6386
456 5JCA FAD 0.00000002462 0.58064 29.6804
457 5JCA NDP 0.000001244 0.47153 29.6804
458 1XHC FAD 0.00000000002876 0.54245 30.3653
459 3CTY FAD 0.0000000008892 0.5332 30.4075
460 2Q7V FAD 0.000000008717 0.60073 30.4615
461 1Q1R FAD 0.00000000003807 0.70724 32.1918
462 2Q0L FAD 0.000000255 0.54889 34.0836
463 2Q0L NAP 0.0005886 0.50254 34.0836
464 2V3A FAD 0.00000000008591 0.53766 34.1146
465 2V3B FAD 0.0000000001714 0.52621 34.1146
466 5VN0 FAD 0.000000000008345 0.7255 47.032
467 2CDU FAD 0.0000000000008372 0.57741 47.032
468 5VN0 NAI 0.000000002916 0.5549 47.032
469 2NPX FAD 0.00000000001861 0.71883 47.4886
470 2NPX NAD 0.00000000332 0.55662 47.4886
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