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Receptor
PDB id Resolution Class Description Source Keywords
4S28 1.25 Å EC: 4.1.99.17 CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA THIC WITH BOUND AMINOIMIDAZOLE RIBONUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE, FE4SA ND FE ARABIDOPSIS THALIANA ALPHA-BETA BARREL RADICAL SAM SUPERFAMILY IRON-SULFUR CLUSTHIAMIN VITAMIN B1 VITAMIN B12 DOMAIN SWAPPING ADOMET AGLUTAMATE MUTASE LYASE
Ref.: NON-CANONICAL ACTIVE SITE ARCHITECTURE OF THE RADIC THIAMIN PYRIMIDINE SYNTHASE. NAT COMMUN V. 6 6480
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 A:701;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
SAH A:703;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
CL A:705;
Invalid;
none;
submit data
35.453 Cl [Cl-]
BU1 A:707;
A:706;
Invalid;
Invalid;
none;
none;
submit data
90.121 C4 H10 O2 C(CCO...
AIR A:702;
Valid;
none;
submit data
295.186 C8 H14 N3 O7 P c1c(n...
FE2 A:704;
Part of Protein;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4S28 1.25 Å EC: 4.1.99.17 CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA THIC WITH BOUND AMINOIMIDAZOLE RIBONUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE, FE4SA ND FE ARABIDOPSIS THALIANA ALPHA-BETA BARREL RADICAL SAM SUPERFAMILY IRON-SULFUR CLUSTHIAMIN VITAMIN B1 VITAMIN B12 DOMAIN SWAPPING ADOMET AGLUTAMATE MUTASE LYASE
Ref.: NON-CANONICAL ACTIVE SITE ARCHITECTURE OF THE RADIC THIAMIN PYRIMIDINE SYNTHASE. NAT COMMUN V. 6 6480
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4S27 - MET C5 H11 N O2 S CSCC[C@@H]....
2 4S25 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 4S28 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 4S26 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
5 4S29 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4S27 - MET C5 H11 N O2 S CSCC[C@@H]....
2 4S25 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 4S28 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 4S26 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
5 4S29 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4S27 - MET C5 H11 N O2 S CSCC[C@@H]....
2 4S25 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 4S28 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 4S26 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
5 4S29 - IRN C8 H13 N2 O7 P c1cn(cn1)[....
6 3EPO - MP5 C6 H10 N3 O4 P Cc1ncc(c(n....
7 3EPN - IRN C8 H13 N2 O7 P c1cn(cn1)[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 ADN 0.573333 0.84058
19 RAB 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 4UU 0.4 0.75
Ligand no: 2; Ligand: AIR; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 AIR 1 1
2 7RA 0.591549 0.914286
3 C2R 0.573529 0.942029
4 AMZ 0.573529 0.955882
5 A 0.571429 0.927536
6 AMP 0.571429 0.927536
7 NIA 0.557143 0.878378
8 7RP 0.534247 0.884058
9 RMB 0.527027 0.855072
10 AAM 0.527027 0.927536
11 71V 0.513158 0.842105
12 IRN 0.507692 0.907692
13 1RB 0.506849 0.867647
14 IMO 0.506667 0.859155
15 FAI 0.506667 0.955882
16 P2P 0.506667 0.859155
17 RBZ 0.5 0.857143
18 5GP 0.493671 0.890411
19 G 0.493671 0.890411
20 JLN 0.486842 0.927536
21 G7M 0.481013 0.855263
22 RVP 0.478873 0.884058
23 PGS 0.475 0.794872
24 PMO 0.474359 0.830986
25 ADP 0.468354 0.901408
26 IMP 0.468354 0.888889
27 ABM 0.467532 0.875
28 A2D 0.467532 0.875
29 6IA 0.464286 0.797468
30 93A 0.4625 0.790123
31 BA3 0.455696 0.875
32 AP2 0.455696 0.864865
33 A12 0.455696 0.864865
34 6C6 0.452381 0.84
35 ATP 0.451219 0.901408
36 HEJ 0.451219 0.901408
37 B4P 0.45 0.875
38 AP5 0.45 0.875
39 25A 0.449438 0.901408
40 5FA 0.445783 0.901408
41 PRX 0.445783 0.851351
42 AQP 0.445783 0.901408
43 APC 0.445783 0.864865
44 AT4 0.444444 0.864865
45 AN2 0.444444 0.888889
46 XMP 0.443038 0.876712
47 SRA 0.441558 0.876712
48 CA0 0.439024 0.851351
49 M33 0.439024 0.863014
50 AU1 0.439024 0.876712
51 ADX 0.439024 0.7875
52 2SA 0.436782 0.84
53 50T 0.433735 0.888889
54 ACP 0.433735 0.876712
55 ACQ 0.430233 0.876712
56 TAT 0.430233 0.864865
57 T99 0.430233 0.864865
58 AR6 0.428571 0.875
59 APR 0.428571 0.875
60 GUO 0.426966 0.928571
61 7DD 0.426829 0.887324
62 8BR 0.425 0.890411
63 AD9 0.423529 0.876712
64 SAP 0.423529 0.853333
65 RBY 0.423529 0.84
66 AGS 0.423529 0.853333
67 ADV 0.423529 0.84
68 ITT 0.421687 0.847222
69 6K6 0.417582 0.887324
70 6YZ 0.41573 0.876712
71 ANP 0.413793 0.876712
72 MGQ 0.413043 0.844156
73 PRT 0.412371 0.888889
74 RGT 0.412371 0.864865
75 7DT 0.411765 0.887324
76 1PR 0.410526 0.878378
77 5AL 0.409091 0.863014
78 N6P 0.408602 0.871429
79 ADP PO3 0.406977 0.873239
80 GRF 0.40678 0.727273
81 MAP 0.406593 0.853333
82 A22 0.406593 0.888889
83 ALF ADP 0.404494 0.805195
84 ATF 0.404494 0.864865
85 ADP ALF 0.404494 0.805195
86 HFD 0.402299 0.853333
87 OOB 0.402174 0.863014
88 5SV 0.402174 0.807692
89 MZP 0.4 0.884058
90 MGV 0.4 0.802469
91 SRP 0.4 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4S28; Ligand: SAH; Similar sites found with APoc: 117
This union binding pocket(no: 1) in the query (biounit: 4s28.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 1CT9 GLN 1.26582
2 2F2U M77 1.49254
3 4WOE ADP 1.5625
4 5V1B 8UY 1.66667
5 3M2W L8I 1.67224
6 1VBH PEP 1.73611
7 3NB0 G6P 1.73611
8 3SAO DBH 1.875
9 3SAO NKN 1.875
10 4BS0 6NT 1.88679
11 3NZ1 3NY 1.91571
12 5M90 JIF 1.93966
13 3UDG TMP 1.99336
14 3HAV ATP 2.00669
15 5W75 SUC 2.04082
16 1RJW ETF 2.0649
17 2XIQ 5AD 2.08333
18 5V8E CIT 2.26537
19 3PPQ CHT 2.57235
20 5KJW 53C 2.57611
21 5OKG XYT 2.68041
22 3QH2 3NM 2.71493
23 4M26 AKG 2.74725
24 2XZ9 PYR 2.77778
25 4LUT DCS 2.85714
26 1F5F DHT 2.92683
27 1REQ DCA 2.95139
28 1SR9 KIV 3.125
29 3O2K QRP 3.16456
30 5OCG 9R5 3.1746
31 1SDW IYT 3.18471
32 4K38 SAM 3.24324
33 4K37 SAM 3.24324
34 4K39 SAM 3.24324
35 4JAW NGT GAL 3.29861
36 4CQB MLI 3.30969
37 2VN9 GVD 3.32226
38 3T7V MD0 3.42857
39 4FFG 0U8 3.45528
40 3CL7 HYN 3.57143
41 1H8S AIC 3.57143
42 5H9Y BGC BGC BGC BGC BGC 3.6036
43 2ZKJ ADP 3.80711
44 5F6U 5VK 3.82166
45 5YJS SAL 3.84615
46 5FPE 3TR 3.87597
47 4RW3 IPD 3.97351
48 5FYR INS 4.02685
49 3R9C ECL 4.06699
50 5T9C G3P 4.10448
51 2VWT PYR 4.11985
52 6G33 5ID 4.12979
53 4RF7 ARG 4.16667
54 4KCT PYR 4.20842
55 4IDT T28 4.21348
56 4UP4 NDG 4.2394
57 4UP4 NAG 4.2394
58 2R0H CTO 4.26829
59 5G48 1FL 4.27807
60 4IF4 BEF 4.32692
61 4XWM CBI 4.34028
62 1TMX BEZ 4.43686
63 4D4U FUC NDG GAL FUC 4.44444
64 6GNO XDI 4.44444
65 4A59 AMP 4.6875
66 6EK3 OUL 4.97738
67 5HYR EST 5.03876
68 4UYG 73B 5.09554
69 4MGB XDH 5.09804
70 1W31 SHO 5.26316
71 5UMW RBF 5.29801
72 4IAW LIZ 5.31915
73 3K1X DBX 5.38462
74 2VDF OCT 5.5336
75 6GZD LCI 5.61497
76 4R3U 5AD 5.6962
77 4XCB AKG 5.74713
78 6FA4 D1W 5.78035
79 1CCW TAR 5.83942
80 4IP7 FLC 5.89319
81 4K7O EKZ 5.95238
82 2FKA BEF 6.20155
83 3FGZ BEF 6.25
84 1Y7P RIP 6.27803
85 1QFT HSM 6.28571
86 5G1X ADP 6.31579
87 5LXM ADP 6.36042
88 1O68 KIV 6.54545
89 6E2B PT7 6.57895
90 2G30 ALA ALA PHE 6.58915
91 1MFI FHC 7.01754
92 6CZI 38E 7.14286
93 1O5Q PYR 7.21311
94 4QM9 CYS 7.51445
95 2YAB AMP 7.75623
96 3GLC R5P 7.79661
97 6CLV 6MB 7.90378
98 1EHI PHY 8.22281
99 5U9J GER 8.28402
100 3H22 B53 8.41751
101 4Y24 TD2 8.44156
102 5OD2 GLC 8.73362
103 3AIH BMA MAN MAN 8.87097
104 1L5Y BEF 9.03226
105 1VKF CIT 9.04255
106 3OLL EST 9.16667
107 5K21 6QF 9.21986
108 43CA NPO 9.40171
109 4NBU CAA 9.6
110 5WS9 OXL 9.68421
111 5DYO FLU 10.0917
112 1MAI I3P 11.4504
113 1J3R 6PG 15.2632
114 1V0O INR 15.2778
115 1KJ1 MAN 25.6881
116 1BHX ASP PHE GLU GLU ILE 30
117 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 33.3333
Pocket No.: 2; Query (leader) PDB : 4S28; Ligand: SAH; 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: 4s28.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4S28; Ligand: AIR; Similar sites found with APoc: 117
This union binding pocket(no: 3) in the query (biounit: 4s28.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 1CT9 GLN 1.26582
2 2F2U M77 1.49254
3 4WOE ADP 1.5625
4 5V1B 8UY 1.66667
5 3M2W L8I 1.67224
6 1VBH PEP 1.73611
7 3NB0 G6P 1.73611
8 3SAO DBH 1.875
9 3SAO NKN 1.875
10 4BS0 6NT 1.88679
11 3NZ1 3NY 1.91571
12 5M90 JIF 1.93966
13 3UDG TMP 1.99336
14 3HAV ATP 2.00669
15 5W75 SUC 2.04082
16 1RJW ETF 2.0649
17 2XIQ 5AD 2.08333
18 5V8E CIT 2.26537
19 3PPQ CHT 2.57235
20 5KJW 53C 2.57611
21 5OKG XYT 2.68041
22 3QH2 3NM 2.71493
23 4M26 AKG 2.74725
24 2XZ9 PYR 2.77778
25 4LUT DCS 2.85714
26 1F5F DHT 2.92683
27 1REQ DCA 2.95139
28 1SR9 KIV 3.125
29 3O2K QRP 3.16456
30 5OCG 9R5 3.1746
31 1SDW IYT 3.18471
32 4K38 SAM 3.24324
33 4K37 SAM 3.24324
34 4K39 SAM 3.24324
35 4JAW NGT GAL 3.29861
36 4CQB MLI 3.30969
37 2VN9 GVD 3.32226
38 3T7V MD0 3.42857
39 4FFG 0U8 3.45528
40 3CL7 HYN 3.57143
41 1H8S AIC 3.57143
42 5H9Y BGC BGC BGC BGC BGC 3.6036
43 2ZKJ ADP 3.80711
44 5F6U 5VK 3.82166
45 5YJS SAL 3.84615
46 5FPE 3TR 3.87597
47 4RW3 IPD 3.97351
48 5FYR INS 4.02685
49 3R9C ECL 4.06699
50 5T9C G3P 4.10448
51 2VWT PYR 4.11985
52 6G33 5ID 4.12979
53 4RF7 ARG 4.16667
54 4KCT PYR 4.20842
55 4IDT T28 4.21348
56 4UP4 NDG 4.2394
57 4UP4 NAG 4.2394
58 2R0H CTO 4.26829
59 5G48 1FL 4.27807
60 4IF4 BEF 4.32692
61 4XWM CBI 4.34028
62 1TMX BEZ 4.43686
63 4D4U FUC NDG GAL FUC 4.44444
64 6GNO XDI 4.44444
65 4A59 AMP 4.6875
66 6EK3 OUL 4.97738
67 5HYR EST 5.03876
68 4UYG 73B 5.09554
69 4MGB XDH 5.09804
70 1W31 SHO 5.26316
71 5UMW RBF 5.29801
72 4IAW LIZ 5.31915
73 3K1X DBX 5.38462
74 2VDF OCT 5.5336
75 6GZD LCI 5.61497
76 4R3U 5AD 5.6962
77 4XCB AKG 5.74713
78 6FA4 D1W 5.78035
79 1CCW TAR 5.83942
80 4IP7 FLC 5.89319
81 4K7O EKZ 5.95238
82 2FKA BEF 6.20155
83 3FGZ BEF 6.25
84 1Y7P RIP 6.27803
85 1QFT HSM 6.28571
86 5G1X ADP 6.31579
87 5LXM ADP 6.36042
88 1O68 KIV 6.54545
89 6E2B PT7 6.57895
90 2G30 ALA ALA PHE 6.58915
91 1MFI FHC 7.01754
92 6CZI 38E 7.14286
93 1O5Q PYR 7.21311
94 4QM9 CYS 7.51445
95 2YAB AMP 7.75623
96 3GLC R5P 7.79661
97 6CLV 6MB 7.90378
98 1EHI PHY 8.22281
99 5U9J GER 8.28402
100 3H22 B53 8.41751
101 4Y24 TD2 8.44156
102 5OD2 GLC 8.73362
103 3AIH BMA MAN MAN 8.87097
104 1L5Y BEF 9.03226
105 1VKF CIT 9.04255
106 3OLL EST 9.16667
107 5K21 6QF 9.21986
108 43CA NPO 9.40171
109 4NBU CAA 9.6
110 5WS9 OXL 9.68421
111 5DYO FLU 10.0917
112 1MAI I3P 11.4504
113 1J3R 6PG 15.2632
114 1V0O INR 15.2778
115 1KJ1 MAN 25.6881
116 1BHX ASP PHE GLU GLU ILE 30
117 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 33.3333
Pocket No.: 4; Query (leader) PDB : 4S28; Ligand: AIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4s28.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
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