Receptor
PDB id Resolution Class Description Source Keywords
4IXW 2.47 Å EC: 4.5.1.- HALOHYDRIN DEHALOGENASE (HHEC) BOUND TO ETHYL (2S)-OXIRAN-2- RHIZOBIUM RADIOBACTER THERMOSTABILITY SYNERGISTIC MUTATIONS COUPLED MUTATIONS PINDUCED BACKBONE CHANGES ENANTIOSELECTIVITY CHANGES DIREEVOLUTION PROTEIN ENGINEERING SHORT-CHAIN DEHYDROGENASE/RENZYME SUPERFAMILY CYANOLYSIS DEHALOGENASE ATORVASTATIN SYNTHESIS LYASE
Ref.: BIOCATALYTIC AND STRUCTURAL PROPERTIES OF A HIGHLY ENGINEERED HALOHYDRIN DEHALOGENASE. CHEMBIOCHEM V. 14 870 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
IXW B:302;
A:302;
Valid;
Valid;
none;
none;
submit data
130.142 C6 H10 O3 CCOC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IXW 2.47 Å EC: 4.5.1.- HALOHYDRIN DEHALOGENASE (HHEC) BOUND TO ETHYL (2S)-OXIRAN-2- RHIZOBIUM RADIOBACTER THERMOSTABILITY SYNERGISTIC MUTATIONS COUPLED MUTATIONS PINDUCED BACKBONE CHANGES ENANTIOSELECTIVITY CHANGES DIREEVOLUTION PROTEIN ENGINEERING SHORT-CHAIN DEHYDROGENASE/RENZYME SUPERFAMILY CYANOLYSIS DEHALOGENASE ATORVASTATIN SYNTHESIS LYASE
Ref.: BIOCATALYTIC AND STRUCTURAL PROPERTIES OF A HIGHLY ENGINEERED HALOHYDRIN DEHALOGENASE. CHEMBIOCHEM V. 14 870 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4IXW - IXW C6 H10 O3 CCOC(=O)C[....
2 4IXT - 1H1 C7 H11 N O3 CCOC(=O)C[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4IXW - IXW C6 H10 O3 CCOC(=O)C[....
2 4IXT - 1H1 C7 H11 N O3 CCOC(=O)C[....
3 1ZMT - RNO C8 H7 N O3 c1cc(ccc1[....
4 1PX0 - RPN C8 H8 N4 O3 c1cc(ccc1[....
5 1PWZ - RSO C8 H8 O c1ccc(cc1)....
6 1ZO8 - SNO C8 H7 N O3 c1cc(ccc1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4IXW - IXW C6 H10 O3 CCOC(=O)C[....
2 4IXT - 1H1 C7 H11 N O3 CCOC(=O)C[....
3 1ZMT - RNO C8 H7 N O3 c1cc(ccc1[....
4 1PX0 - RPN C8 H8 N4 O3 c1cc(ccc1[....
5 1PWZ - RSO C8 H8 O c1ccc(cc1)....
6 1ZO8 - SNO C8 H7 N O3 c1cc(ccc1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IXW; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IXW 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IXW; Ligand: IXW; 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: 4ixw.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4IXW; Ligand: IXW; Similar sites found: 661
This union binding pocket(no: 2) in the query (biounit: 4ixw.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 CIT 0.0001344 0.54882 None
2 1SS4 GSH 0.02033 0.41918 None
3 3NCQ ATP 0.004753 0.41323 None
4 2ALG DAO 0.004844 0.41289 None
5 2ALG HP6 0.004844 0.41289 None
6 3WSJ MK1 0.02522 0.41079 None
7 1JYQ MAZ PTR PTM ASN 0.02861 0.4098 None
8 1NHK CMP 0.01602 0.40184 None
9 1WKL ATP 0.007476 0.4016 None
10 1QY1 PRZ 0.001534 0.43316 1.14943
11 3WQM B29 0.0006856 0.45297 1.1811
12 1GSA ADP 0.0008846 0.44478 1.1811
13 4JK3 NAD 0.002912 0.4331 1.1811
14 1CBF SAH 0.001264 0.42809 1.1811
15 1I2L DCS 0.00466 0.41175 1.1811
16 1GSA GSH 0.02066 0.40972 1.1811
17 1LYX PGA 0.001597 0.42171 1.20968
18 2BNF UTP 0.01754 0.41009 1.24481
19 4U9W COA 0.0006347 0.44559 1.44928
20 1F5F DHT 0.003264 0.41398 1.46341
21 2JAR UMP 0.007146 0.40238 1.5
22 1M5B BN1 0.001087 0.47906 1.5748
23 1B8U OAA 0.003649 0.43295 1.5748
24 2C5A NAD 0.04493 0.41638 1.5748
25 2F01 BTQ 0.03875 0.41204 1.5748
26 2PWY SAH 0.007615 0.40823 1.5748
27 4CS4 AXZ 0.02507 0.4077 1.5748
28 4CS4 ANP 0.02042 0.40621 1.5748
29 2BNE U5P 0.006451 0.42417 1.65975
30 1KDK DHT 0.006916 0.40831 1.69492
31 3CH6 311 0.003417 0.48334 1.9685
32 4K26 SFF 0.003489 0.46587 1.9685
33 1GAD NAD 0.001154 0.44694 1.9685
34 3B1J NAD 0.002925 0.43441 1.9685
35 1TIW FAD 0.005084 0.43364 1.9685
36 1TIW TFB 0.005084 0.43364 1.9685
37 3B20 NAD 0.002258 0.43323 1.9685
38 1Z44 NPO 0.01086 0.43297 1.9685
39 4O8A FAD 0.004448 0.42801 1.9685
40 1G6O ADP 0.01364 0.42739 1.9685
41 1YBH FAD 0.007583 0.42706 1.9685
42 1LVL FAD 0.01015 0.42522 1.9685
43 2D2I NAP 0.003351 0.42453 1.9685
44 1ZGA HMK 0.00133 0.4223 1.9685
45 1WXI AMP 0.0121 0.41814 1.9685
46 1V9N NDP 0.008258 0.4178 1.9685
47 1TOI HCI 0.007456 0.41589 1.9685
48 2OZE AGS 0.003377 0.41544 1.9685
49 1LVL NAD 0.005215 0.41159 1.9685
50 1I7L ATP 0.007858 0.40767 1.9685
51 4LWA Q13 0.02435 0.40475 1.9685
52 1ZGA SAH 0.005019 0.40223 1.9685
53 1V8K ANP 0.01947 0.40067 1.9685
54 3R35 4CO 0.005183 0.42519 1.98676
55 1IM8 SAI 0.0008731 0.44309 2.04918
56 3H86 AP5 0.01077 0.43098 2.08333
57 1XIU REA 0.00117 0.43171 2.17391
58 4NTD FAD 0.003104 0.44299 2.35294
59 2J07 HDF 0.001362 0.46868 2.3622
60 2J07 FAD 0.001362 0.46868 2.3622
61 4L1F FAD 0.0006978 0.46629 2.3622
62 1RHC F42 ACN 0.002411 0.43796 2.3622
63 3KMZ EQO 0.002382 0.43383 2.3622
64 2Q9U FMN 0.001486 0.42972 2.3622
65 1E5F PLP 0.0013 0.42761 2.3622
66 4L1F COS 0.00297 0.42504 2.3622
67 2Q8M AMP 0.001245 0.42341 2.3622
68 4CMF PXG 0.01499 0.42257 2.3622
69 2C7G FAD 0.01832 0.42221 2.3622
70 3DG6 MUC 0.001866 0.41907 2.3622
71 1GVF PGH 0.000755 0.4184 2.3622
72 2AHR NAP 0.007125 0.41803 2.3622
73 4GLJ RHB 0.009645 0.41491 2.3622
74 1E4E PHY 0.003441 0.41092 2.3622
75 3MB5 SAM 0.03219 0.40746 2.3622
76 1DSS NAD 0.00995 0.40647 2.3622
77 4B7J G39 0.01674 0.40577 2.3622
78 4G10 GSH 0.005454 0.40302 2.3622
79 2Z5Y HRM 0.01729 0.40043 2.3622
80 2I4O ATP 0.0043 0.4 2.3622
81 1HDR NAD 0.01556 0.42106 2.45902
82 1A69 FMB 0.01588 0.42837 2.52101
83 2J5S KTA 0.006761 0.40335 2.6616
84 2QQ0 THM 0.001697 0.44298 2.71739
85 2QQ0 ANP 0.001977 0.44298 2.71739
86 2QQ0 ADP 0.00268 0.43737 2.71739
87 2QQ0 TMP 0.00268 0.43737 2.71739
88 2FR6 URI 0.0007489 0.44163 2.73973
89 2FR6 CTN 0.004752 0.4095 2.73973
90 1EP2 ORO 0.0002732 0.48378 2.75591
91 1EP2 FMN 0.000506 0.46351 2.75591
92 1VDC FAD 0.004096 0.44634 2.75591
93 3NYQ MCA 0.001864 0.4454 2.75591
94 3NYQ AMP 0.002357 0.44233 2.75591
95 1K27 MTM 0.002277 0.4417 2.75591
96 2XVF FAD 0.003531 0.43946 2.75591
97 4MP8 NAD 0.004009 0.43706 2.75591
98 4MP8 MLI 0.004009 0.43706 2.75591
99 2XVE FAD 0.01033 0.43702 2.75591
100 2YBQ UP2 0.004152 0.4353 2.75591
101 4CKU P2F 0.008166 0.43289 2.75591
102 1SB8 UD2 0.01423 0.42509 2.75591
103 1SB8 NAD 0.01217 0.42509 2.75591
104 1LTH NAD 0.01444 0.4248 2.75591
105 1NHZ 486 0.002782 0.42448 2.75591
106 4C12 ADP 0.01529 0.42368 2.75591
107 1ZK7 FAD 0.01275 0.42254 2.75591
108 3HAZ FAD 0.006479 0.42106 2.75591
109 2IXB A2G 0.01029 0.42025 2.75591
110 1QPB TPP 0.005687 0.41805 2.75591
111 2XBN PMP 0.005983 0.41566 2.75591
112 2IXB NAD 0.008914 0.41516 2.75591
113 3FKQ ATP 0.003064 0.41508 2.75591
114 4KS1 2H8 0.01788 0.41427 2.75591
115 2QCX PF1 0.0006586 0.41396 2.75591
116 3T1A 5MA 0.003709 0.41381 2.75591
117 1DXY NAD 0.007478 0.41308 2.75591
118 3HAZ NAD 0.01129 0.40954 2.75591
119 3RFV NAI 0.02404 0.4092 2.75591
120 3I28 34N 0.02632 0.40918 2.75591
121 1YOE RIB 0.0109 0.40892 2.75591
122 1QPB PYM 0.009647 0.40845 2.75591
123 2YBQ SAH 0.005731 0.40812 2.75591
124 2WK1 SAH 0.0069 0.40665 2.75591
125 2XCG XCG 0.01421 0.40531 2.75591
126 1NJR XYL 0.01341 0.4038 2.75591
127 1OYB FMN 0.01188 0.40027 2.75591
128 4D7M TDC 0.01499 0.40043 2.76498
129 2D37 NAD 0.01114 0.4072 2.84091
130 3O7B SAH 0.004163 0.4118 2.86885
131 1X92 M7P 0.004598 0.40137 3.01508
132 1VQ2 DDN 0.006878 0.40109 3.10881
133 2JBH 5GP 0.002435 0.40675 3.11111
134 1DAK DPU 0.006316 0.43154 3.125
135 1DAK ADP 0.006316 0.43154 3.125
136 3DCM SAM 0.002222 0.42472 3.125
137 4PTZ FMN 0.002586 0.41801 3.14136
138 1KYV RBF 0.003868 0.41105 3.14465
139 3K37 BCZ 0.006327 0.45422 3.14961
140 1CSI CMX 0.005337 0.43375 3.14961
141 1CSI OAA 0.005337 0.43375 3.14961
142 3B96 MYA 0.001338 0.43361 3.14961
143 1Q0H FOM 0.007312 0.43334 3.14961
144 1Q0H NDP 0.007978 0.43334 3.14961
145 2Q1W NAD 0.004325 0.4298 3.14961
146 4KCF AKM 0.002574 0.42759 3.14961
147 4OYA 1VE 0.03742 0.42555 3.14961
148 4AMV F6R 0.00167 0.42332 3.14961
149 3UH0 TSB 0.004028 0.4196 3.14961
150 3FS8 ACO 0.03804 0.4172 3.14961
151 3FC4 EDO 0.02327 0.41605 3.14961
152 3FS8 TDR 0.04064 0.41507 3.14961
153 2EFJ SAH 0.003314 0.41372 3.14961
154 3H9E NAD 0.008225 0.41135 3.14961
155 2Y7G AAE 0.004074 0.40802 3.14961
156 2R5T ANP 0.007605 0.40663 3.14961
157 2WR8 SAH 0.01809 0.40648 3.14961
158 2R42 FPS 0.006851 0.40499 3.14961
159 2NCD ADP 0.005705 0.403 3.14961
160 1SSQ CYS 0.03614 0.40255 3.14961
161 2YK7 CSF 0.008224 0.40178 3.14961
162 3OND ADN 0.04183 0.40079 3.14961
163 3QP6 HL6 0.005461 0.40079 3.14961
164 3OND NAD 0.04183 0.40079 3.14961
165 1UJ2 C5P 0.002937 0.42849 3.1746
166 2QTR NXX 0.006382 0.42134 3.1746
167 2C1Q BTN 0.02754 0.40238 3.1746
168 2YGO PCF 0.003881 0.42785 3.19149
169 2PNZ UDP 0.00838 0.40957 3.21285
170 1V7R CIT 0.01876 0.41203 3.22581
171 1NN5 ANP 0.01017 0.41148 3.25581
172 1NN5 2DT 0.01017 0.41148 3.25581
173 2PY4 DUP 0.02796 0.40254 3.44828
174 3S2Y FMN 0.0022 0.4229 3.51759
175 1U7Z PMT 0.00911 0.41715 3.53982
176 1JQI FAD 0.001865 0.45036 3.54331
177 1SQ5 PAU 0.0001448 0.4467 3.54331
178 1KY8 NAP 0.02356 0.43286 3.54331
179 1Q3Q ANP 0.01042 0.43272 3.54331
180 4DEM YS4 0.02016 0.4324 3.54331
181 1H2B NAJ 0.004439 0.43055 3.54331
182 3CKZ ZMR 0.007642 0.42885 3.54331
183 4B4D FAD 0.002394 0.42532 3.54331
184 4KGD TDP 0.02735 0.42087 3.54331
185 4KGD FAD 0.0281 0.42087 3.54331
186 1JQI CAA 0.004217 0.42041 3.54331
187 4AAW R84 0.01778 0.41766 3.54331
188 1B9I PXG 0.004806 0.41645 3.54331
189 3ZF8 GDP 0.001609 0.41643 3.54331
190 1V25 ANP 0.02569 0.41462 3.54331
191 1IIM TTP 0.01318 0.41454 3.54331
192 2Z1U ATP 0.00329 0.41169 3.54331
193 3RHZ UDP 0.004784 0.40938 3.54331
194 3FSY SCA 0.01791 0.40821 3.54331
195 1A59 COA 0.005772 0.40611 3.54331
196 3CKJ CIT 0.01099 0.40607 3.54331
197 2VAR ANP 0.007617 0.4049 3.54331
198 3TXO 07U 0.00438 0.40455 3.54331
199 1JIL 485 0.007229 0.40405 3.54331
200 1F74 NAY 0.005653 0.4024 3.54331
201 2VAR KDF 0.004372 0.40222 3.54331
202 1I9G SAM 0.03675 0.40183 3.54331
203 3WO0 ADP 0.02528 0.40115 3.54331
204 3WO0 ALA 0.02528 0.40115 3.54331
205 3DER ALA LYS 0.01094 0.40016 3.54331
206 1NVV GNP 0.008418 0.40949 3.61446
207 1NVU GTP 0.0401 0.40584 3.61446
208 1I1Q TRP 0.002042 0.40966 3.64583
209 2VEZ ACO 0.006397 0.4187 3.68421
210 2VEZ G6P 0.006873 0.4187 3.68421
211 2QXX TTP 0.02202 0.40275 3.68421
212 3HF3 FMN 0.003171 0.42216 3.72493
213 1ZJ6 G3D 0.002472 0.41185 3.74332
214 4NAT ADP 0.01443 0.43935 3.75
215 4NAT 2W5 0.004263 0.4359 3.75
216 2P1O IHP 0.01627 0.4028 3.75
217 2P1O NLA 0.01627 0.4028 3.75
218 1UGX GAL MGC 0.0054 0.4218 3.7594
219 4C25 13P 0.004635 0.4246 3.77358
220 1QJC PNS 0.02162 0.41717 3.79747
221 3SFI 3SF 0.02415 0.40582 3.81356
222 2Q09 DI6 0.0007985 0.4252 3.84615
223 3ZEI AWH 0.01207 0.40704 3.87097
224 3CBG SAH 0.006109 0.40315 3.87931
225 3KYF 5GP 5GP 0.001063 0.42336 3.8961
226 3FXU TSU 0.007615 0.40979 3.93443
227 1PEA ACM 0.0006364 0.46577 3.93701
228 1I2B NAD 0.002117 0.46427 3.93701
229 1I2B UPG 0.002117 0.46427 3.93701
230 1I2B USQ 0.002117 0.46427 3.93701
231 4OJ8 2TQ 0.0004903 0.45524 3.93701
232 4OJ8 AKG 0.0006266 0.44688 3.93701
233 3QO8 SSA 0.000805 0.43582 3.93701
234 3I3X U22 0.01321 0.4311 3.93701
235 2BII MTV 0.00227 0.42983 3.93701
236 3PVT 3HC 0.005935 0.42965 3.93701
237 3FC2 IBI 0.004102 0.4282 3.93701
238 1N4W FAD 0.02222 0.42647 3.93701
239 3BAZ NAP 0.00348 0.42544 3.93701
240 2Q1A 2KT 0.00295 0.42344 3.93701
241 2V7T SAH 0.03603 0.42301 3.93701
242 1MDZ PLP 0.007831 0.41878 3.93701
243 1MDZ DCS 0.008346 0.41878 3.93701
244 2WQP WQP 0.005684 0.41806 3.93701
245 9LDT NAD 0.007705 0.41786 3.93701
246 9LDB NAD 0.00907 0.41484 3.93701
247 4BI7 PGA 0.001516 0.41459 3.93701
248 1NYT NAP 0.00671 0.41359 3.93701
249 4HZO COA 0.001139 0.41231 3.93701
250 3RO7 TDR 0.008457 0.41224 3.93701
251 3P0K FAD 0.005639 0.41194 3.93701
252 1Y7I SAL 0.001645 0.40838 3.93701
253 1B7Y FYA 0.009001 0.40828 3.93701
254 4MOB ADP 0.004326 0.40807 3.93701
255 1VJT NAD 0.006229 0.40666 3.93701
256 4PLG NAI 0.02082 0.40584 3.93701
257 4PLG OXM 0.02082 0.40584 3.93701
258 3I0O ADP 0.003175 0.40507 3.93701
259 3V91 UPG 0.03613 0.40369 3.93701
260 3HY3 10F 0.004522 0.41754 3.94089
261 2YC5 6BC 0.01893 0.40562 3.94737
262 1YAG ATP 0.003761 0.42083 4
263 1C3V NDP 0.001503 0.44804 4.08163
264 1C3V PDC 0.0002689 0.42868 4.08163
265 1O7N IND 0.007142 0.40774 4.12371
266 2OYS FMN 0.005348 0.41115 4.13223
267 4N02 FNR 0.02899 0.41097 4.20168
268 4TMK T5A 0.002627 0.43904 4.22535
269 4AF0 IMP 0.003032 0.4522 4.33071
270 2R40 20E 0.001055 0.44525 4.33071
271 1DLJ UGA 0.006017 0.44049 4.33071
272 1I0Z NAI 0.002505 0.43726 4.33071
273 1DLJ NAI 0.007468 0.43626 4.33071
274 4O1M NAD 0.002687 0.43597 4.33071
275 2DKH FAD 0.004183 0.43166 4.33071
276 3WE0 FAD 0.007756 0.43042 4.33071
277 2X61 NGA GAL SIA 0.01445 0.42762 4.33071
278 4PVD NDP 0.01028 0.4269 4.33071
279 2NX1 PEP 0.003945 0.42614 4.33071
280 1SOW NAD 0.006211 0.42309 4.33071
281 1NZY BCA 0.004687 0.423 4.33071
282 1FWY UD1 0.006356 0.42266 4.33071
283 4I4Z 2NE 0.006273 0.42038 4.33071
284 2DKH 3HB 0.01083 0.42027 4.33071
285 1M7Y PPG 0.006494 0.41974 4.33071
286 1LCP PLU 0.004932 0.41915 4.33071
287 1DJ9 KAM 0.004663 0.41861 4.33071
288 1HV9 COA 0.01797 0.41745 4.33071
289 3LZW NAP 0.02587 0.41662 4.33071
290 2X61 CH 0.01403 0.41531 4.33071
291 2IMP NAI 0.04561 0.41438 4.33071
292 2NX1 RP5 0.007812 0.41368 4.33071
293 3VHZ SOG 0.03314 0.41348 4.33071
294 2C31 TZD 0.04331 0.41298 4.33071
295 2HGZ PBF 0.006417 0.41287 4.33071
296 3VHZ L2P GLC MAN SGA 0.04195 0.41125 4.33071
297 2ZE3 AKG 0.0007528 0.41122 4.33071
298 2C31 ADP 0.04742 0.41058 4.33071
299 1ECC PCP 0.007082 0.40953 4.33071
300 4AF0 MOA 0.007825 0.40931 4.33071
301 1A5Z NAD 0.02738 0.40918 4.33071
302 1HV9 UD1 0.01727 0.40406 4.33071
303 3LM9 FRU 0.01053 0.40396 4.33071
304 3LZW FAD 0.02465 0.40358 4.33071
305 4C1K PEP 0.002239 0.40186 4.33071
306 2HXT EHM 0.005672 0.40015 4.33071
307 2H6B 3C4 0.03388 0.40922 4.4
308 1S8F GDP 0.009656 0.40844 4.51977
309 2P8O BVA 0.006437 0.40224 4.58015
310 3LST SAH 0.0029 0.41157 4.5977
311 3ZZS TRP 0.01781 0.40677 4.61538
312 1V2X SAM 0.004769 0.41134 4.63918
313 1QB7 ADE 0.002094 0.41203 4.66102
314 4P3H 25G 0.02744 0.40677 4.66321
315 1TUF AZ1 0.001002 0.44618 4.72441
316 4IVG ANP 0.00758 0.43597 4.72441
317 1COY AND 0.02371 0.43387 4.72441
318 1COY FAD 0.01505 0.43387 4.72441
319 1X54 4AD 0.002086 0.43304 4.72441
320 4M5P FMN 0.001587 0.43256 4.72441
321 1IUP ALQ 0.003479 0.43122 4.72441
322 3FPZ AHZ 0.02106 0.4305 4.72441
323 2C4I BTN 0.001351 0.42695 4.72441
324 2H8Z FMN 0.004357 0.42573 4.72441
325 2H8Z 8CM 0.004357 0.42573 4.72441
326 3IL6 B83 0.002362 0.42365 4.72441
327 1D6H COA 0.01126 0.42322 4.72441
328 2CSN CKI 0.004073 0.4226 4.72441
329 2NLI FMN 0.0201 0.41678 4.72441
330 2NLI LAC 0.0201 0.41678 4.72441
331 2HW1 ANP 0.004174 0.41552 4.72441
332 1MG1 MAL 0.006023 0.41077 4.72441
333 1KW6 BPY 0.03816 0.41061 4.72441
334 1FP1 SAH 0.004568 0.40606 4.72441
335 1SZD APR 0.02091 0.40374 4.72441
336 2XZ3 MAL 0.01461 0.40353 4.72441
337 4GQB 0XU 0.04269 0.40323 4.72441
338 3M0J OAF 0.01806 0.40207 4.72441
339 2C9O ADP 0.01923 0.40206 4.72441
340 3K3K A8S 0.006497 0.40592 4.73934
341 5FIT AP2 0.0005558 0.437 4.7619
342 2FWP ICR 0.02178 0.40296 4.91803
343 1YRX FMN 0.005223 0.40155 4.95868
344 3S9K CIT 0.004732 0.46071 5.08475
345 2C29 NAP 0.01868 0.43057 5.11811
346 2C29 DQH 0.01868 0.43057 5.11811
347 3CXO 1N5 0.003905 0.43042 5.11811
348 2QA1 FAD 0.005246 0.42977 5.11811
349 3CQD ATP 0.008072 0.42383 5.11811
350 1YB5 NAP 0.008556 0.41947 5.11811
351 1GV0 NAD 0.008158 0.41554 5.11811
352 4QVH COA 0.01021 0.40812 5.11811
353 4QDF 30Q 0.01088 0.40695 5.11811
354 2R14 TXD 0.01431 0.4064 5.11811
355 2R14 FMN 0.0108 0.4064 5.11811
356 1SG4 CO8 0.0114 0.40541 5.11811
357 1I36 NAP 0.00896 0.40532 5.11811
358 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.03797 0.40381 5.11811
359 4QDC ASD 0.01332 0.40327 5.11811
360 2I3G NAP 0.0187 0.40257 5.11811
361 1CL2 PPG 0.00811 0.40203 5.11811
362 4Q3F TLA 0.00133 0.41675 5.12821
363 3SVL FMN 0.006955 0.4009 5.18135
364 3BL6 FMC 0.0007857 0.4408 5.21739
365 3QXG TLA 0.001743 0.42898 5.34979
366 1TDF FAD 0.0008407 0.4762 5.51181
367 1TDF NAP 0.003116 0.46634 5.51181
368 1QF5 RPL 0.00288 0.4532 5.51181
369 1QF5 GDP 0.00288 0.4532 5.51181
370 3NKS FAD 0.003634 0.43892 5.51181
371 1B63 ANP 0.001618 0.43409 5.51181
372 3DAG FEG 0.002537 0.43114 5.51181
373 1Q7E MET 0.00447 0.42242 5.51181
374 3UXL CFI 0.01451 0.41653 5.51181
375 1ML4 PAL 0.003937 0.41563 5.51181
376 3FED BIX 0.003281 0.41389 5.51181
377 2QF7 COA 0.002531 0.41388 5.51181
378 2NXW TPP 0.01023 0.41382 5.51181
379 3TKA SAM 0.004685 0.41348 5.51181
380 1P4C FMN 0.04169 0.4111 5.51181
381 1UNB PN1 0.02599 0.40904 5.51181
382 1UNB AKG 0.0229 0.40904 5.51181
383 2NPX FAD 0.01768 0.40895 5.51181
384 1RLZ NAD 0.0473 0.40849 5.51181
385 2NPX NAD 0.04065 0.40749 5.51181
386 3B1F NAD 0.007254 0.40747 5.51181
387 4HE2 AMP 0.01512 0.40536 5.51181
388 2PTZ PAH 0.00613 0.40101 5.51181
389 3AHC TPP 0.01809 0.40084 5.51181
390 5IBP ACE ASP GLU VAL ASP 0QE 0.01076 0.40046 5.51181
391 1GS5 ANP 0.02235 0.40035 5.51181
392 1GS5 NLG 0.02235 0.40035 5.51181
393 4IEN GDP 0.008977 0.41248 5.52147
394 2IYG FMN 0.003874 0.40426 5.64516
395 4N7C AEF 0.00009605 0.42284 5.68182
396 3ZOD FMN 0.001372 0.44381 5.75916
397 3ZOD HQE 0.001372 0.44381 5.75916
398 4IAE 1DX 0.007139 0.43674 5.82011
399 1P9B IMO 0.0007699 0.45089 5.90551
400 3T31 DCQ 0.004739 0.44983 5.90551
401 3K7M FAD 0.008572 0.43586 5.90551
402 3T31 FAD 0.0107 0.4322 5.90551
403 4R33 SAH 0.004426 0.43061 5.90551
404 4R33 TRP 0.004426 0.43061 5.90551
405 1AL8 FMN 0.01043 0.42971 5.90551
406 4B9E FAH 0.0001618 0.41807 5.90551
407 4IZC 1GZ 0.01907 0.41745 5.90551
408 1QW9 KHP 0.006508 0.41414 5.90551
409 1CKM GTP 0.002132 0.40895 5.90551
410 2GWD GLU 0.002511 0.40624 5.90551
411 3MPI GRA 0.04439 0.40312 5.90551
412 2Q97 ATP 0.01092 0.4002 5.90551
413 1FIQ MTE 0.004979 0.42463 5.93607
414 1FIQ SAL 0.005715 0.42463 5.93607
415 1FIQ FAD 0.00685 0.42363 5.93607
416 4NE2 SH2 0.01597 0.40884 5.98802
417 4NE2 ADP 0.02327 0.40067 5.98802
418 1H9G COA MYR 0.003757 0.42557 6.17284
419 3QXC ATP 0.01369 0.40068 6.19835
420 1BGQ RDC 0.00388 0.42498 6.22222
421 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 0.008602 0.40275 6.25
422 2YVF NAD 0.01855 0.42523 6.29921
423 2YVF FAD 0.01798 0.42523 6.29921
424 3TCT 3MI 0.01505 0.42399 6.29921
425 2Q28 TPP 0.005056 0.4187 6.29921
426 2BLE 5GP 0.03161 0.41321 6.29921
427 2VJJ RAM GLC GAL NAG NAG GLC 0.02525 0.4119 6.29921
428 4KXV TDP DX5 0.01608 0.41175 6.29921
429 1UBY DMA 0.003911 0.41086 6.29921
430 1HYE NAP 0.007344 0.40888 6.29921
431 2C5S AMP 0.002498 0.40633 6.29921
432 2CE7 ADP 0.005131 0.40186 6.29921
433 3KJQ B94 0.001601 0.41917 6.31579
434 3QXV MTX 0.005269 0.42805 6.34921
435 2F59 INI 0.00532 0.40753 6.36943
436 2Z9C FMN 0.002733 0.4211 6.5
437 2Z9C DTC 0.006021 0.41554 6.5
438 3F3E LEU 0.002752 0.44417 6.69291
439 2GYI HYA 0.01095 0.43713 6.69291
440 1T26 GBD 0.03425 0.4258 6.69291
441 1T26 NAI 0.03425 0.4258 6.69291
442 4GYW UDP 0.006554 0.42209 6.69291
443 2TPL HPP 0.004664 0.42015 6.69291
444 2RDT 2RD 0.03001 0.41785 6.69291
445 2RDT FMN 0.02202 0.41785 6.69291
446 1KYZ SAH 0.003404 0.4153 6.69291
447 1R27 MGD 0.01311 0.41361 6.69291
448 3ZRR PXG 0.004841 0.41108 6.69291
449 1OLS TDP 0.02238 0.41075 6.69291
450 1N1G BCP 0.0167 0.40799 6.69291
451 1KYQ NAD 0.005545 0.40681 6.69291
452 2P41 G1G 0.002793 0.40448 6.69291
453 3KMT SAH 0.0007937 0.4336 6.72269
454 4INB 1F6 0.003273 0.41794 6.84932
455 1YOA FAD 0.0006145 0.45124 6.91824
456 1XSE NDP 0.002744 0.47247 7.08661
457 1JCM 137 0.002087 0.4392 7.08661
458 1TB4 PEJ 0.002549 0.43694 7.08661
459 4G87 UD1 0.01269 0.42305 7.08661
460 1ME8 RVP 0.03669 0.41894 7.08661
461 2BJF DXC 0.0156 0.41514 7.08661
462 1P72 ADP 0.01017 0.41272 7.08661
463 1UXG FUM 0.0205 0.4071 7.08661
464 1UXG NAD 0.0205 0.4071 7.08661
465 1MQ0 BRD 0.005336 0.40119 7.14286
466 2Q37 3AL 0.003648 0.41095 7.18232
467 4BCS BTN 0.000514 0.44351 7.2
468 1T0I FMN 0.0002459 0.46099 7.32984
469 4C0X FMN 0.003643 0.42613 7.38916
470 4C0X AQN 0.01639 0.40387 7.38916
471 4B8V NDG NAG NAG NAG 0.008685 0.41036 7.45614
472 1KOL NAD 0.00203 0.44876 7.48031
473 1P9P SAH 0.001484 0.43562 7.48031
474 1E2S CSN 0.001355 0.4245 7.48031
475 1XVV CCQ 0.008885 0.42404 7.48031
476 3BW2 FMN 0.007452 0.41721 7.48031
477 3IPQ 965 0.007502 0.41709 7.48031
478 1WMA AB3 0.04297 0.41085 7.48031
479 3WJP ANP 0.007752 0.40097 7.48031
480 1Y75 NAG 0.002756 0.4047 7.62712
481 1HDO NAP 0.03853 0.40526 7.76699
482 1G79 PLP 0.009826 0.41906 7.79817
483 2YPO PHE 0.002141 0.44014 7.87402
484 3C1O NAP 0.002066 0.43321 7.87402
485 1W7J ADP BEF 0.001255 0.43049 7.87402
486 3E8N VRA 0.007582 0.42994 7.87402
487 3E8N ATP 0.007582 0.42994 7.87402
488 4E28 9MZ 0.002889 0.42135 7.87402
489 4BG1 IVL 0.004397 0.4146 7.87402
490 4BG1 OGA 0.004397 0.4146 7.87402
491 3IOI 1GW 0.01075 0.4129 7.87402
492 2NZ2 CIR 0.008103 0.41162 7.87402
493 2NP9 YE1 0.01409 0.40786 7.87402
494 4E28 0MZ 0.004427 0.40751 7.87402
495 4KQL 1SG 0.04473 0.40736 7.87402
496 2OHV NHL 0.002714 0.40495 7.87402
497 3GE7 AFQ 0.02128 0.40128 7.87402
498 2O4J VD4 0.0007706 0.45426 8.26772
499 1H82 GZZ 0.004883 0.45138 8.26772
500 3UR0 SVR 0.002882 0.45045 8.26772
501 2PT9 2MH 0.002204 0.44483 8.26772
502 4RJK TDL 0.003285 0.43228 8.26772
503 1H82 FAD 0.01451 0.42755 8.26772
504 2PTR 2SA 0.006324 0.41612 8.26772
505 4RJK TPP 0.006935 0.41586 8.26772
506 2I7C AAT 0.01034 0.41478 8.26772
507 2G86 UMP 0.02421 0.41236 8.26772
508 2RGH FAD 0.02009 0.40936 8.26772
509 3PC3 P1T 0.007551 0.40505 8.26772
510 1Z45 UPG 0.006243 0.40474 8.26772
511 3IB8 AMP 0.004514 0.40404 8.26772
512 3TA2 ATP 0.0199 0.40308 8.47458
513 1MVN PCO 0.01673 0.42436 8.61244
514 1MVN FMN 0.01136 0.41836 8.61244
515 1RM0 D6P 0.006032 0.43963 8.66142
516 2Q1S NAI 0.01022 0.4251 8.66142
517 4K5S FAD 0.006762 0.42271 8.66142
518 4K5S PM0 0.02469 0.41197 8.66142
519 1R6W 164 0.004391 0.40674 8.66142
520 1ZFJ IMP 0.02794 0.40559 8.66142
521 1RM0 NAI 0.03861 0.40086 8.66142
522 1HFS L04 0.007001 0.42087 8.75
523 2Y6P CTP 0.001147 0.42209 8.97436
524 3DDN HPV 0.00008342 0.44551 9.05512
525 3JYN NDP 0.006184 0.42437 9.05512
526 4W6Z 8ID 0.007837 0.42333 9.05512
527 3VPD ANP 0.004739 0.41328 9.05512
528 4AXD ANP 0.01918 0.4064 9.05512
529 3KJI ADP 0.005111 0.40414 9.05512
530 2FH5 GTP 0.00249 0.42273 9.34579
531 2NT8 ATP 0.01121 0.4084 9.41704
532 1V35 NAI 0.001591 0.4589 9.44882
533 1RP0 AHZ 0.009686 0.44206 9.44882
534 3AXB PRO 0.005595 0.43579 9.44882
535 1K97 CIR 0.0294 0.42453 9.44882
536 1K97 ASP 0.0294 0.42453 9.44882
537 3AXB FAD 0.01235 0.41577 9.44882
538 2WE5 ADP 0.003188 0.40996 9.44882
539 3HU3 AGS 0.04593 0.40682 9.44882
540 1PL6 572 0.01936 0.40304 9.44882
541 1PL6 NAD 0.01033 0.40118 9.44882
542 1OGZ EQU 0.00119 0.42418 9.6
543 2AQJ FAD 0.008199 0.44032 9.84252
544 2AQJ TRP 0.00792 0.44032 9.84252
545 4BJZ P3A 0.03227 0.41855 9.84252
546 4BJZ FAD 0.03227 0.41855 9.84252
547 1QS0 TDP 0.009087 0.40003 9.84252
548 4BMO FMN 0.008701 0.40889 10.084
549 1T57 FMN 0.002637 0.42542 10.1942
550 1R37 NAD 0.001173 0.4566 10.2362
551 4FWE FAD 0.00799 0.42985 10.2362
552 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01477 0.41528 10.2362
553 4R1S NAP 0.02367 0.40824 10.2362
554 2DDH HXD 0.009181 0.4016 10.2362
555 1CFV E3G 0.009168 0.40794 10.6195
556 1EXB NDP 0.01051 0.44156 10.6299
557 2BJK NAD 0.01031 0.43184 10.6299
558 3SSO SAH 0.003248 0.41994 10.6299
559 1RM4 NDP 0.0229 0.41972 10.6299
560 3EAU PDN 0.04943 0.41269 10.6299
561 3EAU NDP 0.04943 0.41269 10.6299
562 3CF6 SP1 0.001485 0.42534 10.7784
563 3CI3 3PO 0.007736 0.41521 10.8247
564 3CI3 5AD 0.007736 0.41521 10.8247
565 3KO8 NAD 0.006441 0.42241 11.0236
566 2A0W DIH 0.01615 0.407 11.0236
567 3L0E G58 0.0003862 0.46676 11.0672
568 1GR0 NAD 0.01003 0.44365 11.4173
569 1V5F TPP 0.04564 0.43262 11.4173
570 1V5F FAD 0.04564 0.43262 11.4173
571 2GSD NAD 0.01039 0.41694 11.4173
572 2YB9 HA0 0.01383 0.40581 11.4173
573 3PJU C2E 0.009987 0.40782 11.6466
574 2NVK FAD 0.0136 0.41778 11.811
575 4LNL 2BK 0.004373 0.40681 11.811
576 4LNL 2BO 0.004373 0.40681 11.811
577 3S7O LBV 0.01873 0.40139 11.811
578 1FL2 FAD 0.00413 0.43965 12.2047
579 3CIP ATP 0.005746 0.43528 12.2047
580 4PVV HO4 0.02102 0.40662 12.2047
581 2PVQ GSH 0.005201 0.40593 12.4378
582 2HVW DCP 0.004293 0.40489 12.5
583 1RYI FAD 0.008812 0.42612 12.5984
584 3WBF NAP 0.006652 0.41798 12.5984
585 1RYI GOA 0.01794 0.4142 12.5984
586 3WBF API 0.01441 0.40858 12.5984
587 3D2Y AH0 ALA FGA LYS 0.00665 0.40364 12.5984
588 3CL7 HYN 0.01143 0.40249 12.5984
589 2YJ0 420 0.03646 0.40841 13.0435
590 1K6M AGS 0.003289 0.41972 13.3858
591 2YNM PMR 0.008769 0.40726 13.3858
592 1FK8 NAD 0.02921 0.40219 13.3858
593 1E7S NAP 0.002566 0.43948 14.1732
594 3Q9T FAY 0.008141 0.4247 14.1732
595 1A27 NAP 0.01002 0.41176 14.1732
596 1Y13 BIO 0.0001565 0.45535 14.3646
597 3P7I P7I 0.0006428 0.42206 14.5669
598 1R6D NAD 0.04109 0.41854 14.5669
599 1R6D DAU 0.03996 0.41854 14.5669
600 2V6O FAD 0.002385 0.47302 15.3543
601 1RKD ADP 0.008594 0.41706 15.3543
602 1RKD RIB 0.008594 0.41706 15.3543
603 4AT0 FAD 0.01113 0.42683 16.5354
604 2WSB NAD 0.01031 0.44175 17.3228
605 4HA6 FAD 0.005653 0.43652 17.3228
606 2DKN NAI 0.0358 0.40141 17.3228
607 1KBJ FMN 0.002719 0.42989 17.7165
608 1KBI FMN 0.007936 0.412 17.7165
609 1KBI PYR 0.007936 0.412 17.7165
610 1W6U NAP 0.02614 0.40329 18.8976
611 1OAA OAA 0.0201 0.42883 19.2913
612 1DR1 HBI 0.01227 0.41588 19.5767
613 1DR1 NAP 0.01227 0.41588 19.5767
614 2GJ3 FAD 0.003933 0.41472 20
615 2HV8 GTP 0.007375 0.41037 20.3125
616 2GDZ NAD 0.01203 0.40838 22.8346
617 4ITU 1HS 0.008426 0.44833 24.4094
618 4CQM NAP 0.03552 0.40277 25.1968
619 1U7T TDT 0.008146 0.44819 26.378
620 3ZV6 4HB 0.0001867 0.501 27.5591
621 3ZV6 NAD 0.0001758 0.501 27.5591
622 4KWI 1TJ 0.006284 0.45423 28.7402
623 4KWI NAP 0.006063 0.45409 28.7402
624 1NFQ NAI 0.02856 0.41003 29.1339
625 3V1U NAD 0.002427 0.43193 30.315
626 1XHL NDP 0.0006842 0.46396 30.7087
627 3AI3 SOL 0.00869 0.40115 30.7087
628 1EZV SMA 0.005121 0.41995 31.1828
629 1X1T NAD 0.005962 0.44689 31.8898
630 1HDC CBO 0.003651 0.43987 32.2835
631 3AY6 BGC 0.03123 0.42308 32.2835
632 3AY6 NAI 0.02165 0.42162 32.2835
633 2BGM NAJ 0.02108 0.42007 33.0709
634 1G0N NDP 0.01062 0.4391 33.4646
635 1G0N PHH 0.01274 0.43776 33.4646
636 4QED NAP 0.005702 0.42214 33.871
637 1PR9 NAP 0.004203 0.43157 34.4262
638 3D3W NAP 0.003982 0.43006 34.4262
639 2AE2 PTO 0.0000226 0.53889 34.6457
640 2AE2 NAP 0.004401 0.46152 34.6457
641 3TN7 NJP 0.0008549 0.45844 34.6457
642 3U4C NDP 0.004168 0.42654 34.6457
643 1IY8 NAD 0.02828 0.40913 38.189
644 1JA9 NDP 0.01331 0.42745 38.3212
645 1GEG NAD 0.02452 0.41121 39.3701
646 2RH4 EMO 0.005733 0.46006 39.7638
647 1ZK4 AC0 0.0001302 0.5351 39.8406
648 1ZK4 NAP 0.002788 0.46774 39.8406
649 1NNU TCT 0.03053 0.42375 40
650 2DTX BMA 0.006584 0.45118 40.5512
651 3VZS NAP 0.00294 0.4748 40.9449
652 2Q2V NAD 0.003583 0.43454 40.9449
653 2B4Q NAP 0.002795 0.43525 41.3386
654 3QWI CUE 0.01781 0.42993 41.3386
655 3QWI NAP 0.01367 0.42684 41.3386
656 4JP3 CIT 0.004059 0.42689 41.841
657 1EDO NAP 0.02171 0.42561 42.623
658 3SJ7 NDP 0.0006742 0.45985 42.8571
659 3ICC NAP 0.002382 0.44086 43.1373
660 3O03 NAP 0.0007773 0.4541 45.2756
661 3O03 GCO 0.0002511 0.406 45.2756
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