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Receptor
PDB id Resolution Class Description Source Keywords
2ZIM 2.1 Å EC: 6.1.1.26 PYRROLYSYL-TRNA SYNTHETASE BOUND TO ADENYLATED PYRROLYSINE A PYROPHOSPHATE METHANOSARCINA MAZEI TRNA SYNTHETASE BOUND TO AN ADENYLATED INTERMEDIATE AMINOACSYNTHETASE ATP-BINDING LIGASE NUCLEOTIDE-BINDING PROTEIBIOSYNTHESIS
Ref.: STRUCTURE OF PYRROLYSYL-TRNA SYNTHETASE, AN ARCHAEA FOR GENETIC CODE INNOVATION. PROC.NATL.ACAD.SCI.USA V. 104 11268 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:902;
A:903;
A:904;
A:905;
A:906;
A:907;
A:908;
A:909;
A:910;
A:911;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
POP A:901;
Invalid;
none;
submit data
175.959 H2 O7 P2 O[P@@...
YLY A:1;
Valid;
none;
submit data
586.535 C22 H35 N8 O9 P C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CS4 1.35 Å EC: 6.1.1.26 CATALYTIC DOMAIN OF PYRROLYSYL-TRNA SYNTHETASE MUTANT Y306A, Y384F IN COMPLEX WITH AMPPNP METHANOSARCINA MAZEI LIGASE AMINOACYL-TRNA SYNTHETASE NONCANONICAL AMINO ACIDS
Ref.: STRUCTURAL BASIS OF FURAN-AMINO ACID RECOGNITION BY POLYSPECIFIC AMINOACYL-TRNA-SYNTHETASE AND ITS GENE ENCODING IN HUMAN CELLS. CHEMBIOCHEM V. 15 1755 2014
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZIN - LBY C11 H22 N2 O4 CC(C)(C)OC....
2 5K1P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 4CH4 - YLC C20 H30 N7 O9 P C/C=C/C(=O....
4 4BW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 5K1X - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4CS4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4BWA - N0B C25 H36 N7 O10 P c1nc(c2c(n....
8 4TQD - 33S C9 H10 I N O2 c1cc(cc(c1....
9 4ZIB - 4OG C11 H11 N O2 S c1ccc2c(c1....
10 4CH5 - YLP C19 H30 N7 O9 P CCC(=O)NCC....
11 3QTC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4CS3 - AMP LYS FU0 n/a n/a
13 2ZIO - AYB C20 H32 N7 O10 P CCCOC(=O)N....
14 2Q7G - CCL C12 H22 N2 O4 C1CCC(C1)O....
15 2Q7E - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 2Q7H - YLY C22 H35 N8 O9 P C[C@@H]1CC....
17 4Q6G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 4CH3 - YLB C20 H32 N7 O9 P CCCC(=O)NC....
19 2ZIM - YLY C22 H35 N8 O9 P C[C@@H]1CC....
20 4CH6 - YLA C20 H28 N7 O10 P C#CCOC(=O)....
21 2ZCE - PYH C12 H21 N3 O3 C[C@@H]1CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YLY; Similar ligands found: 186
No: Ligand ECFP6 Tc MDL keys Tc
1 YLY 1 1
2 YLP 0.754386 0.963855
3 YLB 0.735043 0.963855
4 YLC 0.720339 0.939759
5 AYB 0.710744 0.952381
6 YLA 0.702479 0.917647
7 LAD 0.6875 0.939024
8 N0B 0.656489 0.917647
9 SRP 0.625 0.890244
10 ME8 0.623932 0.894118
11 5AL 0.607143 0.865854
12 AMO 0.603448 0.86747
13 NB8 0.596639 0.837209
14 YAP 0.595041 0.857143
15 FA5 0.581967 0.86747
16 8QN 0.581197 0.865854
17 CA0 0.567568 0.833333
18 4AD 0.563025 0.857143
19 PAJ 0.563025 0.848837
20 PTJ 0.557377 0.837209
21 PR8 0.54918 0.951219
22 TYM 0.541985 0.86747
23 XAH 0.539683 0.894118
24 TXA 0.532258 0.845238
25 AT4 0.530973 0.781609
26 F2R 0.529412 0.873563
27 M33 0.526316 0.821429
28 A1R 0.52459 0.891566
29 WAQ 0.524194 0.914634
30 A2D 0.522523 0.809524
31 DLL 0.520325 0.843373
32 AHX 0.520325 0.837209
33 1ZZ 0.52 0.939759
34 AN2 0.517544 0.8
35 PRX 0.517241 0.855422
36 ANP 0.516949 0.790698
37 3UK 0.516129 0.833333
38 BA3 0.513274 0.809524
39 ABM 0.508929 0.831325
40 AP5 0.508772 0.809524
41 B4P 0.508772 0.809524
42 ADP 0.508772 0.809524
43 3OD 0.507937 0.855422
44 IOT 0.507353 0.906977
45 AR6 0.504274 0.831325
46 APR 0.504274 0.831325
47 OOB 0.504065 0.843373
48 ADX 0.5 0.73913
49 9SN 0.5 0.795455
50 AU1 0.5 0.790698
51 A3R 0.5 0.891566
52 B5V 0.5 0.823529
53 LAQ 0.496241 0.850575
54 B5Y 0.496124 0.835294
55 00A 0.496 0.804598
56 50T 0.495726 0.77907
57 ACP 0.495726 0.811765
58 HEJ 0.495726 0.809524
59 ATP 0.495726 0.809524
60 A 0.495495 0.807229
61 AMP 0.495495 0.807229
62 ARG AMP 0.492424 0.862069
63 9ZA 0.491935 0.825581
64 9ZD 0.491935 0.825581
65 5SV 0.491935 0.903614
66 AQP 0.491525 0.809524
67 5FA 0.491525 0.809524
68 SAP 0.487395 0.772727
69 AD9 0.487395 0.790698
70 AGS 0.487395 0.772727
71 B5M 0.484615 0.835294
72 FYA 0.484375 0.843373
73 DAL AMP 0.483871 0.843373
74 4UU 0.481203 0.813953
75 OAD 0.480315 0.855422
76 ACQ 0.479339 0.811765
77 BT5 0.478873 0.863636
78 NAI 0.477941 0.784091
79 4UW 0.477941 0.827586
80 ADQ 0.47619 0.833333
81 A12 0.474138 0.823529
82 AP2 0.474138 0.823529
83 8X1 0.472 0.768421
84 COD 0.471831 0.908046
85 ATF 0.471545 0.781609
86 7MD 0.470149 0.916667
87 AFH 0.470149 0.806818
88 9X8 0.46875 0.813953
89 6YZ 0.467742 0.811765
90 T99 0.467213 0.781609
91 GAP 0.467213 0.855422
92 TAT 0.467213 0.781609
93 NAX 0.467153 0.818182
94 4UV 0.466165 0.813953
95 SON 0.466102 0.86747
96 SRA 0.464912 0.770115
97 OMR 0.463768 0.928571
98 ADV 0.46281 0.845238
99 RBY 0.46281 0.845238
100 G3A 0.462687 0.775281
101 BIS 0.461538 0.804598
102 A22 0.460317 0.8
103 MAP 0.460317 0.772727
104 G5P 0.459259 0.775281
105 MYR AMP 0.458015 0.916667
106 25A 0.456693 0.809524
107 GTA 0.455882 0.769231
108 APC 0.454545 0.823529
109 P5A 0.453846 0.817204
110 KAA 0.453846 0.806452
111 TXE 0.453237 0.825581
112 AP0 0.45 0.795455
113 48N 0.449275 0.858824
114 53H 0.448819 0.71875
115 GA7 0.448529 0.845238
116 TXD 0.446043 0.825581
117 DQV 0.445255 0.821429
118 TYR AMP 0.444444 0.835294
119 BTX 0.441379 0.852273
120 54H 0.440945 0.726316
121 VMS 0.440945 0.726316
122 7MC 0.439716 0.940476
123 JB6 0.439394 0.825581
124 ADP PO3 0.439024 0.807229
125 LPA AMP 0.438849 0.829545
126 CNA 0.4375 0.823529
127 TSB 0.4375 0.734043
128 A5A 0.436508 0.741935
129 M24 0.436242 0.777778
130 25L 0.43609 0.8
131 DND 0.435714 0.823529
132 6V0 0.435714 0.795455
133 NXX 0.435714 0.823529
134 80F 0.435374 0.791209
135 FB0 0.433121 0.920455
136 SSA 0.433071 0.755319
137 J7C 0.432203 0.744186
138 GSU 0.431818 0.774194
139 LSS 0.430769 0.757895
140 DSZ 0.430769 0.755319
141 T5A 0.430556 0.831461
142 ADJ 0.430556 0.840909
143 GJV 0.428571 0.747126
144 6RE 0.42735 0.735632
145 A4P 0.426573 0.774194
146 5CA 0.426357 0.755319
147 UP5 0.425532 0.793103
148 ADP ALF 0.425197 0.752809
149 ALF ADP 0.425197 0.752809
150 G5A 0.424 0.774194
151 VO4 ADP 0.421875 0.8
152 SMM 0.421875 0.784091
153 ADP VO4 0.421875 0.8
154 NAD 0.421769 0.821429
155 5AS 0.421488 0.755319
156 139 0.42069 0.83908
157 4TC 0.41958 0.795455
158 UPA 0.41958 0.804598
159 LMS 0.418803 0.72043
160 52H 0.418605 0.71875
161 NVA LMS 0.416667 0.768421
162 A3D 0.416107 0.833333
163 YSA 0.416058 0.736842
164 SA8 0.416 0.809524
165 TAD 0.414286 0.806818
166 K15 0.413534 0.845238
167 AMP DBH 0.413043 0.770115
168 AF3 ADP 3PG 0.412587 0.786517
169 AOC 0.411765 0.705882
170 NAQ 0.411765 0.816092
171 NDC 0.40625 0.858824
172 EEM 0.40625 0.770115
173 62X 0.406015 0.825581
174 NAE 0.405229 0.835294
175 EAD 0.403846 0.797753
176 LEU LMS 0.402985 0.75
177 ADP BMA 0.402985 0.811765
178 0WD 0.402685 0.775281
179 SAI 0.401575 0.752941
180 AHZ 0.401408 0.829545
181 ETB 0.401316 0.886364
182 A A 0.4 0.788235
183 S7M 0.4 0.770115
184 DZD 0.4 0.848837
185 5X8 0.4 0.738095
186 SFG 0.4 0.768293
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CS4; Ligand: AXZ; Similar sites found with APoc: 274
This union binding pocket(no: 1) in the query (biounit: 4cs4.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 4QPW XYP XYP XYP None
3 5HWV MBN None
4 1V3S ATP None
5 3L8H FX1 None
6 2Z6C FMN None
7 5KK4 44E None
8 4QAC KK3 1.38249
9 5JJU AMP 1.45985
10 3ACL 3F1 1.45985
11 1W96 S1A 1.45985
12 6D61 4AA 1.53846
13 1UKG MMA 1.5873
14 2BVE PH5 1.68067
15 5UC4 83S 1.81818
16 1OFZ FUC 1.82482
17 1XXR MAN 1.86335
18 12AS AMP 2.18978
19 2OJW ADP 2.18978
20 3NKS ACJ 2.18978
21 1ZY5 ANP 2.18978
22 4ZH7 FUC GAL NAG GAL FUC 2.18978
23 5Z3I ADE 2.26415
24 6BU3 3GK 2.29008
25 1V7Z CRN 2.30769
26 2WGV CIT 2.41935
27 3NCQ ATP 2.52101
28 2Z3U CRR 2.55474
29 1RYD GLC 2.55474
30 3JU6 ANP 2.55474
31 1FDJ 13P 2.55474
32 4D52 GIV 2.55474
33 2X1E X1E 2.55474
34 4D4U FUC GAL NAG 2.55474
35 3EFS BTN 2.57511
36 2QES ADE 2.68199
37 1VBO MAN 2.68456
38 2G30 ALA ALA PHE 2.71318
39 6GBV FMN 2.73973
40 5XIO ANP 2.91971
41 5XIO HFG 2.91971
42 1SDW IYT 2.91971
43 1VRP ADP 2.91971
44 1WOG 16D 2.91971
45 3IWD M2T 2.94118
46 6EWZ APC 2.95359
47 4XTX 590 2.96296
48 6BR7 BEF 3.00752
49 3CBC DBS 3.0303
50 4RKX 3S9 3.06513
51 2GJ5 VD3 3.08642
52 1UPR 4IP 3.25203
53 2PNC CLU 3.28467
54 1LSH PLD 3.28467
55 2E5A LAQ 3.28467
56 4L9Z OXL 3.28467
57 1JX6 AI2 3.28467
58 3I4X DST 3.28467
59 1WPY BTN 3.40426
60 2DXU BT5 3.40426
61 4UAA 3GK 3.42205
62 4UA7 3GK 3.42205
63 4DDS 0J7 3.42205
64 4DDY DN6 3.42205
65 3MEH THP 3.4965
66 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.57143
67 1Y7P RIP 3.58744
68 5EJL C2E 3.62903
69 2I4O ATP 3.64964
70 5VAD PRO 3.64964
71 5VAD 91Y 3.64964
72 3HXU A5A 3.64964
73 4YVN EBS 3.64964
74 5HC0 NPO 3.64964
75 5T8U LPA 3.64964
76 4GCZ FMN 3.64964
77 3GD9 GLC BGC BGC BGC 3.64964
78 5X30 7XF 3.64964
79 4IAW LIZ 3.7234
80 2GQS C2R 3.79747
81 6CC0 EWM 3.79747
82 3DWQ NGC GAL NGA POL AZI 3.96825
83 1SES AMP 4.0146
84 4RF7 ARG 4.0146
85 5LHT TIH 4.0146
86 1F9V ADP 4.0146
87 3KU0 ADE 4.0146
88 4L9I 8PR 4.0146
89 1QCI ADE 4.0146
90 3RGA LSB 4.0146
91 1SES AHX 4.0146
92 2NV2 GLN 4.0146
93 2VFT SOR 4.0146
94 5KR7 6X9 4.0146
95 4B0T ADP 4.0146
96 4YBN FAD 4.01786
97 3GD8 GOL 4.03587
98 3AQT RCO 4.08163
99 3QDV NDG 4.1958
100 3QDY CBS 4.1958
101 2ART LPA AMP 4.19847
102 4URS C2E 4.25532
103 1LOP SIN ALA PRO ALA NIT 4.26829
104 4R38 RBF 4.28571
105 4M1U A2G MBG 4.28571
106 4FE2 AIR 4.31373
107 3TEG DAH 4.37956
108 2VL1 GLY GLY 4.37956
109 3A16 PXO 4.37956
110 5VM6 9EG 4.37956
111 4E28 9MZ 4.37956
112 3H4Z GLC GLC 4.37956
113 4IFP MAL 4.37956
114 5AZA MAL 4.37956
115 4XO8 KGM 4.43038
116 1Q3P GLU ALA GLN THR ARG LEU 4.58716
117 6EV2 BGC 4.60829
118 2P0D I3P 4.65116
119 2CJA ATP 4.74453
120 3JQ3 ADP 4.74453
121 2J5B TYE 4.74453
122 2CJ9 SSA 4.74453
123 5MRH Q9Z 4.74453
124 2CYC TYR 4.74453
125 3IAL PR8 4.74453
126 5UKL SIX 4.74453
127 4JIQ FMN 4.74453
128 4JIQ 1L5 4.74453
129 4URG C2E 4.79042
130 5DYO FLU 5.04587
131 5WHT SIA 5.07246
132 5WHT SIA GAL GLC 5.07246
133 5WHT SIA GAL 5.07246
134 1G51 AMO 5.10949
135 1HXD BTN 5.10949
136 6GW4 CHO 5.10949
137 5SVV FMN 5.10949
138 3B6R ADP 5.10949
139 1C1X HFA 5.10949
140 1BW9 PPY 5.10949
141 4HIA FMN 5.11364
142 2PR5 FMN 5.30303
143 1UYY BGC BGC 5.34351
144 5WHU SIA GAL 5.36913
145 1FHW I5P 5.42636
146 4H2W AMP 5.47445
147 3MF2 AMP 5.47445
148 4H2W 5GP 5.47445
149 1YFS ALA 5.47445
150 4H2V AMP 5.47445
151 2VGD XYP XYP 5.50459
152 2VDF OCT 5.5336
153 1X8X TYR 5.59006
154 5LX9 OLB 5.6338
155 5J75 6GQ 5.68182
156 4RYV ZEA 5.80645
157 4V1F BQ1 5.81395
158 1WLJ U5P 5.82011
159 4MOB ADP 5.83942
160 4YDQ HFG 5.83942
161 4YDQ ANP 5.83942
162 5F7U GLC GLC 5.83942
163 5V59 8X1 5.83942
164 6EOP F15 5.83942
165 1I7M CG 5.97015
166 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
167 2IVD ACJ 6.06695
168 1USF NAP 6.17978
169 1NU4 MLA 6.18557
170 6FA4 D1W 6.20438
171 5TVF CGQ 6.20438
172 3ZJX BOG 6.20438
173 3SAO DBH 6.25
174 5KJW 53C 6.32318
175 1F5F DHT 6.34146
176 5H9Y BGC BGC BGC BGC 6.56934
177 3E7S AT2 6.56934
178 1J78 VDY 6.56934
179 2X00 GYN 6.56934
180 1NBU PH2 6.72269
181 3TW1 AHN 6.75105
182 4QYN RTL 6.76692
183 4WUJ FMN 6.80272
184 5Y4R C2E 6.89655
185 3LQV ADE 6.95652
186 4RDL FUC GAL NDG FUC 7.14286
187 1X54 4AD 7.29927
188 1MJT ITU 7.29927
189 3QPB URA 7.29927
190 1KDK DHT 7.34463
191 2BOS GLA GAL GLC 7.35294
192 2BOS GLA GAL 7.35294
193 6GNO XDI 7.40741
194 2YKL NLD 7.40741
195 2J9D AMP 7.56302
196 2J9D ADP 7.56302
197 1DZK PRZ 7.64331
198 4IEN GDP 7.97546
199 2ZTG A5A 8.0292
200 3A7R LAQ 8.0292
201 1OFL NGK GCD 8.39416
202 4DQ2 BTX 8.39416
203 5FPE 3TR 8.39416
204 2IU8 PLM 8.39416
205 3KIF GDL 8.49057
206 5TZO 7V7 8.51064
207 4Q5H ANP 8.62069
208 5XIJ ANP 8.75912
209 5XIJ 873 8.75912
210 5LUN OGA 8.75912
211 5OCG 9R5 8.99471
212 5HCF BGC 9.12409
213 1U6R ADP 9.12409
214 1RZX ACE VAL LYS GLU SER LEU VAL 9.18367
215 2AZ5 307 9.45946
216 1O6B ADP 9.46746
217 3ERR AMP 9.48905
218 2RHQ GAX 9.48905
219 4H2X G5A 9.48905
220 5F6U 5VK 9.55414
221 4RHS SIA SIA GAL 9.83607
222 6E1Q CFA 9.85401
223 1N9L FMN 10.0917
224 1LFO OLA 10.1562
225 2AGC DAO 10.5839
226 4XR8 MAL 10.596
227 5L83 ASP TRP GLU ILE VAL 10.7143
228 3CM2 X23 10.7692
229 4UTU LRY 11.3537
230 2RDE C2E 11.5538
231 2V0U FMN 11.6438
232 5W75 SUC 11.6788
233 4WOE ADP 11.6788
234 3H0L ADP 11.7021
235 5DJT FMN 11.7241
236 5EFW FMN 11.7241
237 3DRW AMP 12.0438
238 3QX9 ATP 12.3188
239 2WPU KYT 13.1387
240 3LF0 ATP 13.1579
241 4NS0 PIO 13.5338
242 5E6O TRP GLU GLU LEU 13.5593
243 4HWS 1B3 13.8686
244 2XGT NSS 14.2336
245 2QHV OC9 14.2336
246 2QHS OCA 14.2336
247 3NEM AMO 14.5985
248 3NEM ATP 14.5985
249 1H3F TYE 14.5985
250 2FB3 MET 15.3285
251 5B09 4MX 15.3846
252 5O3Q CMP 15.8333
253 3G1Z AMP 16.7883
254 3A5Y KAA 17.1533
255 3A5Z KAA 17.1533
256 5FUI APY 17.4242
257 3REU ATP 17.5182
258 4WQQ MAN 17.7305
259 2WKQ FMN 18.2482
260 4YRI 4JH 19.3431
261 3UH0 TSB 19.3431
262 3WG3 A2G GAL NAG FUC 19.6629
263 2J3M PRI 20.438
264 2J3M ATP 20.438
265 3BJU ATP 21.1679
266 1WLE SRP 21.5328
267 1B7Y FYA 21.8978
268 1N13 AG2 22.1239
269 3E9I XAH 22.6277
270 4HWT 1B2 22.9927
271 3QO8 SSA 23.3577
272 1E1O LYS 24.4526
273 2QQC AG2 28.5714
274 1KGI T4A 29.9213
Pocket No.: 2; Query (leader) PDB : 4CS4; Ligand: AXZ; 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: 4cs4.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CS4; Ligand: ANP; Similar sites found with APoc: 268
This union binding pocket(no: 3) in the query (biounit: 4cs4.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4QPW XYP XYP XYP None
2 5HWV MBN None
3 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
4 1ZEI CRS None
5 1V3S ATP None
6 4P9Z NMI PTR 02K ASN NH2 None
7 3UW5 MAA CHG PRO 0DQ None
8 2Z6D FMN None
9 5KK4 44E None
10 2Z6C FMN None
11 1GT4 UNA None
12 4QAC KK3 1.38249
13 5JJU AMP 1.45985
14 3ACL 3F1 1.45985
15 1W96 S1A 1.45985
16 2HRL SIA GAL SIA BGC NGA CEQ 1.5748
17 1UKG MMA 1.5873
18 2BVE PH5 1.68067
19 1XXR MAN 1.86335
20 12AS AMP 2.18978
21 2OJW ADP 2.18978
22 3NKS ACJ 2.18978
23 4ZH7 FUC GAL NAG GAL FUC 2.18978
24 5Z3I ADE 2.26415
25 6BU3 3GK 2.29008
26 1V7Z CRN 2.30769
27 2WGV CIT 2.41935
28 2Z3U CRR 2.55474
29 5AB1 BCD TA5 HP6 MAN 2.55474
30 4D52 GIV 2.55474
31 1FDJ 13P 2.55474
32 3JU6 ANP 2.55474
33 1RYD GLC 2.55474
34 2X1E X1E 2.55474
35 4D4U FUC GAL NAG 2.55474
36 4FFG 0U8 2.55474
37 3EFS BTN 2.57511
38 2QES ADE 2.68199
39 1VBO MAN 2.68456
40 6GBV FMN 2.73973
41 5XIO ANP 2.91971
42 5XIO HFG 2.91971
43 1SDW IYT 2.91971
44 1VRP ADP 2.91971
45 4P25 FUC GAL NAG FUC 2.91971
46 3IWD M2T 2.94118
47 6EWZ APC 2.95359
48 4XTX 590 2.96296
49 6BR7 BEF 3.00752
50 3CBC DBS 3.0303
51 2AG4 LP3 3.04878
52 2AG4 OLA 3.04878
53 4RKX 3S9 3.06513
54 1UPR 4IP 3.25203
55 2PNC CLU 3.28467
56 1LSH PLD 3.28467
57 2E5A LAQ 3.28467
58 4L9Z OXL 3.28467
59 1UAY ADN 3.30579
60 1WPY BTN 3.40426
61 4UAA 3GK 3.42205
62 4DDS 0J7 3.42205
63 4DDY DN6 3.42205
64 4UA7 3GK 3.42205
65 4DE1 0J6 3.42205
66 4DE3 DN8 3.42205
67 4DE2 DN3 3.42205
68 6BT6 3GK 3.42205
69 3UEC ALA ARG TPO LYS 3.42466
70 3MEH THP 3.4965
71 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.57143
72 1Y7P RIP 3.58744
73 5EJL C2E 3.62903
74 3HXU A5A 3.64964
75 5VAD PRO 3.64964
76 4YVN EBS 3.64964
77 5VAD 91Y 3.64964
78 2I4O ATP 3.64964
79 3PUA OGA 3.64964
80 3GD9 GLC BGC BGC BGC 3.64964
81 4GCZ FMN 3.64964
82 4IAW LIZ 3.7234
83 3UYW TAU 3.73832
84 2GQS C2R 3.79747
85 5H9P TD2 3.79747
86 6CC0 EWM 3.79747
87 1B0U ATP 3.81679
88 3DWQ NGC GAL NGA POL AZI 3.96825
89 1SES AMP 4.0146
90 4RF7 ARG 4.0146
91 5LHT TIH 4.0146
92 1F9V ADP 4.0146
93 3KU0 ADE 4.0146
94 1SES AHX 4.0146
95 4DC2 ADE 4.0146
96 2NV2 GLN 4.0146
97 4L9I 8PR 4.0146
98 2H7C SIA 4.0146
99 1QCI ADE 4.0146
100 5KR7 6X9 4.0146
101 4B0T ADP 4.0146
102 4YBN FAD 4.01786
103 3GD8 GOL 4.03587
104 3AQT RCO 4.08163
105 2ART LPA AMP 4.19847
106 6DZN AE3 4.22535
107 4M1U A2G MBG 4.28571
108 4R38 RBF 4.28571
109 4FE2 AIR 4.31373
110 3TEG DAH 4.37956
111 2VL1 GLY GLY 4.37956
112 4WCX MET 4.37956
113 3A16 PXO 4.37956
114 5VM6 9EG 4.37956
115 4E28 9MZ 4.37956
116 4XO8 KGM 4.43038
117 1BC5 ACE ASN TRP GLU THR PHE 4.46097
118 1Q3P GLU ALA GLN THR ARG LEU 4.58716
119 2P0D I3P 4.65116
120 2CJ9 SSA 4.74453
121 3IAL PR8 4.74453
122 2J5B TYE 4.74453
123 3JQ3 ADP 4.74453
124 2CJA ATP 4.74453
125 5MRH Q9Z 4.74453
126 5DYO FLU 5.04587
127 5WHT SIA 5.07246
128 5WHT SIA GAL GLC 5.07246
129 5WHT SIA GAL 5.07246
130 1G51 AMO 5.10949
131 1HXD BTN 5.10949
132 3B6R ADP 5.10949
133 4HIA FMN 5.11364
134 3KYG 5GP 5GP 5.28634
135 2PR5 FMN 5.30303
136 1UYY BGC BGC 5.34351
137 5WHU SIA GAL 5.36913
138 1FHW I5P 5.42636
139 4XMF HSM 5.43478
140 3MF2 AMP 5.47445
141 4H2V AMP 5.47445
142 1YFS ALA 5.47445
143 4H2W AMP 5.47445
144 4H2W 5GP 5.47445
145 2POC UD1 5.47445
146 2VGD XYP XYP 5.50459
147 2VDF OCT 5.5336
148 1X8X TYR 5.59006
149 5LX9 OLB 5.6338
150 5J75 6GQ 5.68182
151 6C0B PAM 5.76923
152 4RYV ZEA 5.80645
153 4V1F BQ1 5.81395
154 5OFW 9TW 5.8296
155 4MOB ADP 5.83942
156 5V59 8X1 5.83942
157 4YDQ HFG 5.83942
158 4YDQ ANP 5.83942
159 5F7U GLC GLC 5.83942
160 1I7M CG 5.97015
161 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
162 2W5P CL8 6.04027
163 1SQL GUN 6.16438
164 1USF NAP 6.17978
165 1NU4 MLA 6.18557
166 6FA4 D1W 6.20438
167 5TVF CGQ 6.20438
168 5CIC 51R 6.20438
169 3ZJX BOG 6.20438
170 2QPU QPS 6.20438
171 3SAO DBH 6.25
172 5KJW 53C 6.32318
173 1F5F DHT 6.34146
174 5H9Y BGC BGC BGC BGC 6.56934
175 3E7S AT2 6.56934
176 2ZL4 ALA ALA ALA ALA 6.63265
177 1NBU PH2 6.72269
178 3TW1 AHN 6.75105
179 4QYN RTL 6.76692
180 4WUJ FMN 6.80272
181 5Y4R C2E 6.89655
182 5WL1 CUY 7.07071
183 5WL1 D3D 7.07071
184 4RDL FUC GAL NDG FUC 7.14286
185 1X54 4AD 7.29927
186 1MJT ITU 7.29927
187 3QPB URA 7.29927
188 1KDK DHT 7.34463
189 2BOS GLA GAL GLC 7.35294
190 2BOS GLA GAL 7.35294
191 6GNO XDI 7.40741
192 2YKL NLD 7.40741
193 5JSP DQY 7.9602
194 4IEN GDP 7.97546
195 2ZTG A5A 8.0292
196 3A7R LAQ 8.0292
197 1OFL NGK GCD 8.39416
198 5G48 1FL 8.39416
199 5FPE 3TR 8.39416
200 2IU8 PLM 8.39416
201 4DQ2 BTX 8.39416
202 3KIF GDL 8.49057
203 5TZO 7V7 8.51064
204 5XIJ ANP 8.75912
205 5XIJ 873 8.75912
206 5LUN OGA 8.75912
207 5OCG 9R5 8.99471
208 1ZGS XMM 9.12409
209 5HCF BGC 9.12409
210 1U6R ADP 9.12409
211 1RZX ACE VAL LYS GLU SER LEU VAL 9.18367
212 1O6B ADP 9.46746
213 3ERR AMP 9.48905
214 4H2X G5A 9.48905
215 2RHQ GAX 9.48905
216 5F6U 5VK 9.55414
217 4RHS SIA SIA GAL 9.83607
218 6E1Q CFA 9.85401
219 2AGC DAO 10.5839
220 5L83 ASP TRP GLU ILE VAL 10.7143
221 3CM2 X23 10.7692
222 4HN1 TYD 10.9453
223 5OQW A4E 11.0236
224 4UTU LRY 11.3537
225 1O51 ADP 11.4035
226 5W75 SUC 11.6788
227 4WOE ADP 11.6788
228 3H0L ADP 11.7021
229 1NFU RRP 11.7949
230 3DRW AMP 12.0438
231 3UW4 MAA CHG PRO 0DQ 13.0435
232 2WPU KYT 13.1387
233 3LF0 ATP 13.1579
234 4NS0 PIO 13.5338
235 5E6O TRP GLU GLU LEU 13.5593
236 5HP8 PYR 13.7097
237 4HWS 1B3 13.8686
238 2XGT NSS 14.2336
239 2QHV OC9 14.2336
240 2QHS OCA 14.2336
241 3NEM AMO 14.5985
242 3NEM ATP 14.5985
243 1H3F TYE 14.5985
244 4MZU TYD 15.3285
245 5B09 4MX 15.3846
246 5O3Q CMP 15.8333
247 3G1Z AMP 16.7883
248 1ZNY GDP 16.9082
249 3A5Y KAA 17.1533
250 3A5Z KAA 17.1533
251 5FUI APY 17.4242
252 3REU ATP 17.5182
253 4WQQ MAN 17.7305
254 4YRI 4JH 19.3431
255 3UH0 TSB 19.3431
256 3WG3 A2G GAL NAG FUC 19.6629
257 2J3M ATP 20.438
258 2J3M PRI 20.438
259 3BJU ATP 21.1679
260 1WLE SRP 21.5328
261 1B7Y FYA 21.8978
262 1N13 AG2 22.1239
263 3E9I XAH 22.6277
264 4HWT 1B2 22.9927
265 3QO8 SSA 23.3577
266 1E1O LYS 24.4526
267 2QQC AG2 28.5714
268 1KGI T4A 29.9213
Pocket No.: 4; Query (leader) PDB : 4CS4; Ligand: ANP; 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: 4cs4.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
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