Receptor
PDB id Resolution Class Description Source Keywords
4L4J 1.92 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FC-FRAGMENT OF HUMAN IGG2-SIGMA ANTIBOD HOMO SAPIENS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: AN ENGINEERED FC VARIANT OF AN IGG ELIMINATES ALL I EFFECTOR FUNCTIONS VIA STRUCTURAL PERTURBATIONS. METHODS V. 65 114 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG BMA MAN NAG B:501;
Valid;
none;
submit data
935.88 n/a O=C(N...
NAG NAG FUC BMA MAN MAN NAG A:501;
Invalid;
none;
submit data n/a n/a n/a n/a
GOL A:508;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L4J 1.92 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FC-FRAGMENT OF HUMAN IGG2-SIGMA ANTIBOD HOMO SAPIENS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: AN ENGINEERED FC VARIANT OF AN IGG ELIMINATES ALL I EFFECTOR FUNCTIONS VIA STRUCTURAL PERTURBATIONS. METHODS V. 65 114 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4L4J - NAG NAG BMA MAN NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1H3T - BMA C6 H12 O6 C([C@@H]1[....
2 4L4J - NAG NAG BMA MAN NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1H3T - BMA C6 H12 O6 C([C@@H]1[....
2 4L4J - NAG NAG BMA MAN NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG NAG BMA MAN NAG; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NAG BMA MAN NAG 1 1
2 NAG NAG BMA MAN MAN NAG NAG 0.828283 1
3 NAG NAG BMA 0.719101 0.981132
4 NAG NDG BMA 0.719101 0.981132
5 NAG NAG BMA MAN MAN MAN MAN 0.694444 0.981132
6 NAG NAG NAG NAG NAG NAG NAG 0.673684 0.981481
7 NAG NAG 0.655172 0.962264
8 NAG NAG BMA MAN 0.653061 0.981132
9 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.635514 0.924528
10 NAG MAN BMA NDG MAN NAG GAL 0.633027 0.924528
11 NAG BMA NAG MAN MAN NAG NAG 0.626168 0.924528
12 NAG MAN GAL MAN MAN NAG GAL 0.621359 0.90566
13 NAG MAN MAN 0.617021 0.849057
14 NAG MAN BMA 0.617021 0.849057
15 NAG NAG BMA BMA 0.59596 0.981481
16 MAN BMA NAG NAG MAN NAG GAL GAL 0.587156 0.924528
17 NAG MAN GAL BMA NDG MAN NAG GAL 0.587156 0.924528
18 NAG MAN MAN MAN NAG GAL NAG GAL 0.587156 0.924528
19 NAG MAN GAL BMA NAG MAN NAG GAL 0.587156 0.924528
20 NAG MAN MAN MAN NAG 0.574257 0.90566
21 NAG BMA 0.573034 0.90566
22 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.547009 0.90566
23 ASN NAG NAG BMA MAN MAN NAG NAG 0.532258 0.910714
24 MMA MAN NAG MAN NAG NAG 0.518868 0.907407
25 M5G 0.516949 0.90566
26 NAG NAG NAG NAG NDG NAG 0.515789 0.924528
27 NAG NAG NAG 0.515789 0.924528
28 CTO 0.515789 0.924528
29 NAG NAG NAG NAG 0.515789 0.924528
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.515789 0.924528
31 NAG NAG NAG NDG 0.515789 0.924528
32 NDG NAG NAG NDG 0.515789 0.924528
33 NAG NAG NAG NAG NAG 0.515789 0.924528
34 NDG NAG NAG NAG 0.515789 0.924528
35 NDG NAG NAG NDG NAG 0.515789 0.924528
36 NAG NAG NDG 0.515789 0.924528
37 NAG NAG NAG NAG NAG NAG 0.515789 0.924528
38 NDG NAG NAG 0.515789 0.924528
39 NAG NAG NAG NAG NDG 0.515789 0.924528
40 GAL NAG MAN 0.510204 0.849057
41 MAN NAG GAL 0.510204 0.849057
42 GAL NAG GAL 0.504951 0.886792
43 MAN MAN NAG MAN NAG 0.504505 0.90566
44 NAG NAG BMA MAN MAN 0.504505 0.90566
45 NGA GAL BGC 0.5 0.849057
46 WZ5 0.495495 0.851852
47 3PV 0.486239 0.839286
48 MAN MAN NAG 0.480392 0.886792
49 CBS 0.473684 0.90566
50 NAG NDG 0.473684 0.90566
51 NAG GDL 0.473684 0.90566
52 CBS CBS 0.473684 0.90566
53 MBG A2G 0.46875 0.851852
54 A2G MBG 0.46875 0.851852
55 NAG GAL GAL NAG GAL 0.466667 0.90566
56 NAG NAG NGT 0.462963 0.777778
57 NOJ NAG NAG NAG 0.462264 0.928571
58 GLC GAL NAG GAL 0.462264 0.849057
59 NOJ NAG NAG 0.462264 0.910714
60 GAL NAG GAL NAG GAL NAG 0.45283 0.924528
61 NAG GAL GAL NAG 0.45283 0.90566
62 NBG BGC BGC XYS BGC XYS XYS 0.446429 0.851852
63 NGA GLA GAL BGC 0.444444 0.849057
64 DLD 0.439252 0.790323
65 FUC GAL NAG A2G 0.438596 0.981481
66 NAG GAL BGC 0.438095 0.849057
67 NAG GAL NAG 0.438095 0.90566
68 NAG AMU NAG AMV 0.4375 0.890909
69 MAN NAG 0.4375 0.849057
70 GAL BGC NAG GAL 0.433962 0.849057
71 NAG MAN MMA 0.432692 0.851852
72 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.428571 0.849057
73 AO3 0.426087 0.710145
74 6Y2 0.423423 0.720588
75 GAL NAG 0.418367 0.849057
76 NGA GAL 0.418367 0.849057
77 NAG GAL 0.418367 0.849057
78 WZ4 0.417323 0.807018
79 NDG BDP BDP NPO NDG 0.416 0.720588
80 FUC BGC GAL NAG GAL 0.415254 0.867925
81 NAA NAA AMI 0.415254 0.680556
82 NAG NGA 0.414141 0.90566
83 NAG A2G 0.414141 0.90566
84 3QL 0.413462 0.842105
85 NLC 0.412371 0.849057
86 NDG GAL 0.412371 0.849057
87 GAL NDG 0.412371 0.849057
88 NAG BMA MAN MAN MAN MAN 0.412281 0.849057
89 UMG 0.411765 0.816667
90 NGT NAG 0.407407 0.761905
91 TCG 0.407407 0.790323
92 CTO TMX 0.407407 0.790323
93 NDG NAG 0.405941 0.924528
94 G6S NAG 0.40566 0.671642
95 NA1 NAA AMI 0.401639 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L4J; Ligand: NAG NAG BMA MAN NAG; Similar sites found: 111
This union binding pocket(no: 1) in the query (biounit: 4l4j.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MTX PGT 0.0009171 0.48026 None
2 1C1L GAL BGC 0.0007089 0.42757 None
3 1Y0G 8PP 0.01245 0.42443 None
4 3WUC GLC GAL 0.006316 0.42564 1.45985
5 1N5S ADL 0.003974 0.43143 1.78571
6 1PHK ATP 0.006295 0.4306 1.80995
7 5H9Q TD2 0.006951 0.4059 1.93548
8 4YLZ LAT NAG GAL 0.01101 0.41224 1.96078
9 3AGC RCC 0.02754 0.40177 2.17391
10 3ZXE PGZ 0.0009472 0.45377 2.25564
11 2A1L PCW 0.004405 0.46232 2.26244
12 3Q8G PEE 0.004221 0.44938 2.26244
13 3D91 REM 0.04301 0.4179 2.26244
14 1ZM1 BGC BGC BGC 0.01771 0.40069 2.26244
15 4HIA FMN 0.002858 0.47394 2.27273
16 2HRL SIA GAL SIA BGC NGA CEQ 0.002261 0.44597 2.3622
17 4RFR RHN 0.0001412 0.52401 2.46305
18 2D6M LBT 0.0003778 0.46725 2.51572
19 4PSB GA3 0.004055 0.44587 2.58065
20 1R5L VIV 0.0004105 0.49744 2.71493
21 3W68 VIV 0.0006831 0.47597 2.71493
22 5GLT BGC GAL NAG GAL 0.0006437 0.4506 2.71493
23 3JQ3 ADP 0.002276 0.44959 2.71493
24 4GCZ FMN 0.006896 0.44618 2.71493
25 3G58 988 0.02666 0.4112 2.71493
26 5H2D ERG 0.0147 0.40462 2.71493
27 1NYW DAU 0.008615 0.41971 3.04569
28 1ZB6 GST 0.007575 0.4473 3.16742
29 2GQR ADP 0.002588 0.44451 3.16742
30 3WV6 GAL GLC 0.003048 0.42339 3.16742
31 1ERB ETR 0.01955 0.42321 3.16742
32 1ZB6 DIN 0.0168 0.41994 3.16742
33 2IUW AKG 0.0004085 0.49267 3.61991
34 4J7Q B7N 0.005178 0.43584 3.61991
35 5LVP ATP 0.0054 0.42929 3.61991
36 3MF2 AMP 0.007491 0.41715 3.61991
37 1IS3 LAT 0.0003366 0.4775 3.7037
38 4IAW LIZ 0.0001381 0.40176 3.7234
39 3OYW TDG 0.003191 0.4257 3.73134
40 1LN1 DLP 0.01251 0.44522 3.73832
41 2C94 TSF 0.04786 0.41084 3.75
42 5ML3 DL3 0.004187 0.43751 4.02685
43 2JIG PD2 0.002754 0.43591 4.0724
44 3E8T UQ8 0.0004715 0.53606 4.09091
45 4AZP A9M 0.001106 0.48801 4.34783
46 5IXH OTP 0.021 0.40106 4.34783
47 3SAO NKN 0.001249 0.46322 4.375
48 5VNF VAL THR SER VAL VAL 0.00198 0.44339 4.4586
49 1WUB OTP 0.002041 0.48937 4.49438
50 4BVA T3 0.0003809 0.53294 4.52489
51 3BXO UPP 0.01675 0.40965 4.52489
52 2FB3 GTP 0.01111 0.40204 4.52489
53 3IS2 FAD 0.0156 0.41578 4.54545
54 1YRO UDP 0.003779 0.40595 4.87805
55 3KFF ZBT 0.002475 0.46039 4.93827
56 2GQS ADP 0.001654 0.45894 4.97738
57 3Q60 ATP 0.00543 0.43587 4.97738
58 4J0M BLD 0.01724 0.40238 4.97738
59 3VV1 GAL FUC 0.0002421 0.47927 5
60 5W8V 9YP 0.04832 0.40106 5.11628
61 2CWH PYC 0.0102 0.42546 5.42986
62 2ET1 GLV 0.000917 0.40454 5.47264
63 4WVW SLT 0.0005362 0.44359 5.55556
64 1T27 PCW 0.01085 0.43163 5.88235
65 2X06 NAD 0.02829 0.40743 5.88235
66 4QYN RTL 0.003913 0.43357 6.01504
67 1OGX EQU 0.003781 0.43573 6.10687
68 1J3R 6PG 0.003769 0.43741 6.31579
69 1GP6 QUE 0.0001003 0.53605 6.33484
70 1GP6 SIN 0.00009323 0.53605 6.33484
71 3PE2 E1B 0.005142 0.46472 6.33484
72 1DGH NDP 0.01465 0.40672 6.33484
73 8CAT NDP 0.01628 0.40668 6.33484
74 1S4M LUM 0.005105 0.45293 6.78733
75 4P25 FUC GAL NAG FUC 0.001085 0.43537 6.78733
76 3M3E GAL A2G NPO 0.006048 0.41423 6.78733
77 1DMY AZM 0.009683 0.40744 6.78733
78 5HV0 AKG 0.001969 0.46312 6.91244
79 5X7Q GLC GLC GLC GLC GLC 0.006653 0.41494 7.69231
80 4B2Z P5S 0.03006 0.40977 7.69231
81 5X7Q GLC GLC GLC GLC 0.007832 0.40925 7.69231
82 4NPL AKG 0.001566 0.45224 8.1448
83 4Q0L V14 0.008488 0.43153 8.1448
84 5H9Y BGC BGC BGC BGC 0.009595 0.4006 8.1448
85 5NFB 8VT 0.0003544 0.47466 8.52273
86 3M3R BCD 0.0204 0.42294 9.04977
87 1YKD CMP 0.003513 0.43683 9.50226
88 3QRC SCR 0.0007081 0.43905 9.55414
89 3VQ2 LP4 LP5 MYR DAO 0.001863 0.48963 9.72222
90 5DJT FMN 0.008684 0.42138 9.83607
91 3ACL 3F1 0.01302 0.40658 9.95475
92 1GQG DCD 0.01486 0.40516 9.95475
93 5KEW 6SB 0.0002604 0.40178 10.4167
94 4P7X AKG 0.002941 0.42586 11.3122
95 3JU6 ANP 0.005785 0.42235 11.3122
96 4TW7 37K 0.01069 0.42544 11.7188
97 3AD8 FAD 0.02995 0.42667 11.7647
98 4LWA Q13 0.03939 0.40946 12.2172
99 4OYA 1VE 0.01037 0.45029 12.6697
100 4K55 H6P 0.000886 0.43415 12.9032
101 1ODM ASV 0.0006516 0.50037 13.1222
102 3FW9 SLX 0.001266 0.47014 14.0271
103 1KQW RTL 0.006128 0.42701 14.9254
104 1MDC PLM 0.004775 0.40329 15.9091
105 2BW7 APC 0.03457 0.43522 17.3516
106 2BW7 ECS 0.032 0.43522 17.3516
107 4MP8 NAD 0.0003457 0.52695 21.267
108 4H2V AMP 0.005254 0.44639 22.7273
109 1KGI T4A 0.0009134 0.47715 29.1339
110 2Z6D FMN 0.009165 0.41797 30.7692
111 3L9R L9Q 0.02379 0.41604 41.8367
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