4B3S

Crystal structure of the 30S ribosome in complex with compound 37

> Summary

Summary for 4B3S

Related4B3M 4B3R 4B3T
Descriptor30S RIBOSOMAL PROTEIN S2, 30S RIBOSOMAL PROTEIN S3, 30S RIBOSOMAL PROTEIN S4, 30S RIBOSOMAL PROTEIN S5, 30S RIBOSOMAL PROTEIN S6, 30S RIBOSOMAL PROTEIN S7, 30S RIBOSOMAL PROTEIN S8, 30S RIBOSOMAL PROTEIN S9, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, 30S RIBOSOMAL PROTEIN S12, 30S RIBOSOMAL PROTEIN S13, 30S RIBOSOMAL PROTEIN S14 TYPE Z, 30S RIBOSOMAL PROTEIN S15, 30S RIBOSOMAL PROTEIN S16, 30S RIBOSOMAL PROTEIN S17, 30S RIBOSOMAL PROTEIN S18, 30S RIBOSOMAL PROTEIN S19, 30S RIBOSOMAL PROTEIN S20, 30S RIBOSOMAL PROTEIN THX/RNA Complex, (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
Functional Keywordsribosome, antibiotic
Biological sourceTHERMUS THERMOPHILUS HB8
Total number of polymer chains23
Total molecular weight794302.2
Authors
Primary citation
Perez-Fernandez, D.,Shcherbakov, D.,Matt, T.,Leong, N.C.,Kudyba, I.,Duscha, S.,Boukari, H.,Patak, R.,Dubakka, S.R.,Lang, K.,Meyer, M.,Akbergenov, R.,Freihofer, P.,Vaddi, S.,Thommes, P.,Ramakrishnan, V.,Vasella, A.,Bottger, E.C.
4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5:3112-, 2014
PubMed: 24473108
DOI: 10.1038/NCOMMS4112
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.15 Å)
?

Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliersRNA backbone328.0%9.0%1.8%0.60MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4b3s
no rotation
Molmil generated image of 4b3s
rotated about x axis by 90°
Molmil generated image of 4b3s
rotated about y axis by 90°

> Structural details

Entity

Chain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
A16S RIBOSOMAL RNApolymer1521493653.31
GenBank (AP008226.1)
THERMUS THERMOPHILUS HB8
B30S RIBOSOMAL PROTEIN S2polymer25629317.91
UniProt (P80371)
Pfam (PF00318)
THERMUS THERMOPHILUS HB8
C30S RIBOSOMAL PROTEIN S3polymer23926751.31
UniProt (P80372)
Pfam (PF00189)
Pfam (PF07650)
THERMUS THERMOPHILUS HB8
D30S RIBOSOMAL PROTEIN S4polymer20824242.41
UniProt (P80373)
Pfam (PF00163)
Pfam (PF01479)
THERMUS THERMOPHILUS HB8
E30S RIBOSOMAL PROTEIN S5polymer16117452.41
UniProt (Q5SHQ5)
Pfam (PF00333)
Pfam (PF03719)
THERMUS THERMOPHILUS HB8
F30S RIBOSOMAL PROTEIN S6polymer10111988.91
UniProt (Q5SLP8)
Pfam (PF01250)
THERMUS THERMOPHILUS HB8TS9
G30S RIBOSOMAL PROTEIN S7polymer15517919.91
UniProt (P17291)
Pfam (PF00177)
THERMUS THERMOPHILUS HB8
H30S RIBOSOMAL PROTEIN S8polymer13815868.71
UniProt (Q5SHQ2)
Pfam (PF00410)
THERMUS THERMOPHILUS HB8
I30S RIBOSOMAL PROTEIN S9polymer12814429.81
UniProt (P80374)
Pfam (PF00380)
THERMUS THERMOPHILUS HB8
J30S RIBOSOMAL PROTEIN S10polymer10411823.91
UniProt (Q5SHN7)
Pfam (PF00338)
THERMUS THERMOPHILUS HB8
K30S RIBOSOMAL PROTEIN S11polymer12913738.01
UniProt (P80376)
Pfam (PF00411)
THERMUS THERMOPHILUS HB8
L30S RIBOSOMAL PROTEIN S12polymer13214637.51
UniProt (Q5SHN3)
Pfam (PF00164)
THERMUS THERMOPHILUS HB8
M30S RIBOSOMAL PROTEIN S13polymer12614339.01
UniProt (P80377)
Pfam (PF00416)
THERMUS THERMOPHILUS HB8
N30S RIBOSOMAL PROTEIN S14 TYPE Zpolymer607027.61
UniProt (Q5SHQ1)
Pfam (PF00253)
THERMUS THERMOPHILUS HB8
O30S RIBOSOMAL PROTEIN S15polymer8810447.31
UniProt (Q5SJ76)
Pfam (PF00312)
THERMUS THERMOPHILUS HB8
P30S RIBOSOMAL PROTEIN S16polymer8810410.11
UniProt (Q5SJH3)
Pfam (PF00886)
THERMUS THERMOPHILUS HB8
Q30S RIBOSOMAL PROTEIN S17polymer10412193.61
UniProt (Q5SHP7)
Pfam (PF00366)
THERMUS THERMOPHILUS HB8
R30S RIBOSOMAL PROTEIN S18polymer8810244.41
UniProt (Q5SLQ0)
Pfam (PF01084)
THERMUS THERMOPHILUS HB8
S30S RIBOSOMAL PROTEIN S19polymer9210474.41
UniProt (Q5SHP2)
Pfam (PF00203)
THERMUS THERMOPHILUS HB8
T30S RIBOSOMAL PROTEIN S20polymer10611722.21
UniProt (P80380)
Pfam (PF01649)
THERMUS THERMOPHILUS HB8
V30S RIBOSOMAL PROTEIN THXpolymer263218.91
UniProt (Q5SIH3)
Pfam (PF17070)
THERMUS THERMOPHILUS HB8
W5'-R(*UP*UP*CP*AP*AP*AP)-3'polymer61860.21
THERMUS THERMOPHILUS HB8MRNA
Z5'-R(*GP*GP*GP*AP*UP*UP*GP*AP*AP*AP*AP*UP*CP*CP*CP)-3'polymer165161.21
THERMUS THERMOPHILUS HB8ANTICODON STEM LOOP ASL
MAGNESIUM IONnon-polymer24.3166
POTASSIUM IONnon-polymer39.113
(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDEnon-polymer705.81
ZINC IONnon-polymer65.42

Sequence viewer

Contents of the asymmetric unit

PolymersNumber of chains23
Total molecular weight788922.8
Non-Polymers*Number of molecules182
Total molecular weight5379.4
All*Total molecular weight794302.2
*Water molecules are not included.

> Experimental details

Refinement Statistics

Experimental method:X-RAY DIFFRACTION (3.15 Å)

Cell axes401.150401.150173.640
Cell angles90.0090.0090.00
SpacegroupP 41 21 2
Resolution limits40.00 - 3.15
the highest resolution shell value -
R-factor0.2104
R-work0.21040
R-free0.24730
RMSD bond length0.007
RMSD bond angle1.239

Data Collection Statistics

Resolution limits40.00 - 3.15
the highest resolution shell value -
Number of reflections240081
Rmerge_l_obs0.170
the highest resolution shell value0.960
Completeness99.2
Redundancy4
the highest resolution shell value4.1
I/sigma(I)2.1

Crystallization Conditions

crystal IDmethodpHpH rangetemperatureunit

Crystallization Reagents

IDcrystal IDsolution IDreagent nameconcentrationdetails
Crystallization Reagents in Literatures*
IDcrystal IDsolutionreagent nameconcentration (unit)details
Annotated Information is extracted from Literature Info*

> Functional details

?

Functional Information from GO Data

ChainGOidnamespacecontents
J0005840cellular_componentribosome
J0019843molecular_functionrRNA binding
J0003735molecular_functionstructural constituent of ribosome
J0000049molecular_functiontRNA binding
J0006412biological_processtranslation
K0005840cellular_componentribosome
K0019843molecular_functionrRNA binding
K0003735molecular_functionstructural constituent of ribosome
K0006412biological_processtranslation
L0015935cellular_componentsmall ribosomal subunit
L0019843molecular_functionrRNA binding
L0003735molecular_functionstructural constituent of ribosome
L0000049molecular_functiontRNA binding
L0006412biological_processtranslation
M0005840cellular_componentribosome
M0019843molecular_functionrRNA binding
M0003735molecular_functionstructural constituent of ribosome
M0000049molecular_functiontRNA binding
M0006412biological_processtranslation
N0005840cellular_componentribosome
N0019843molecular_functionrRNA binding
N0003735molecular_functionstructural constituent of ribosome
N0008270molecular_functionzinc ion binding
N0006412biological_processtranslation
O0005840cellular_componentribosome
O0019843molecular_functionrRNA binding
O0003735molecular_functionstructural constituent of ribosome
O0006412biological_processtranslation
P0005840cellular_componentribosome
P0003735molecular_functionstructural constituent of ribosome
P0006412biological_processtranslation
Q0005840cellular_componentribosome
Q0019843molecular_functionrRNA binding
Q0003735molecular_functionstructural constituent of ribosome
Q0006412biological_processtranslation
R0005840cellular_componentribosome
R0019843molecular_functionrRNA binding
R0003735molecular_functionstructural constituent of ribosome
R0006412biological_processtranslation
S0015935cellular_componentsmall ribosomal subunit
S0019843molecular_functionrRNA binding
S0003735molecular_functionstructural constituent of ribosome
S0006412biological_processtranslation
T0005840cellular_componentribosome
T0019843molecular_functionrRNA binding
T0003735molecular_functionstructural constituent of ribosome
T0006412biological_processtranslation
B0015935cellular_componentsmall ribosomal subunit
B0019843molecular_functionrRNA binding
B0003735molecular_functionstructural constituent of ribosome
B0006412biological_processtranslation
C0015935cellular_componentsmall ribosomal subunit
C0003729molecular_functionmRNA binding
C0019843molecular_functionrRNA binding
C0003735molecular_functionstructural constituent of ribosome
C0006412biological_processtranslation
D0015935cellular_componentsmall ribosomal subunit
D0046872molecular_functionmetal ion binding
D0019843molecular_functionrRNA binding
D0003735molecular_functionstructural constituent of ribosome
D0006412biological_processtranslation
E0015935cellular_componentsmall ribosomal subunit
E0019843molecular_functionrRNA binding
E0003735molecular_functionstructural constituent of ribosome
E0006412biological_processtranslation
F0005840cellular_componentribosome
F0019843molecular_functionrRNA binding
F0003735molecular_functionstructural constituent of ribosome
F0006412biological_processtranslation
G0015935cellular_componentsmall ribosomal subunit
G0019843molecular_functionrRNA binding
G0003735molecular_functionstructural constituent of ribosome
G0000049molecular_functiontRNA binding
G0006412biological_processtranslation
H0005840cellular_componentribosome
H0019843molecular_functionrRNA binding
H0003735molecular_functionstructural constituent of ribosome
H0006412biological_processtranslation
I0005840cellular_componentribosome
I0019843molecular_functionrRNA binding
I0003735molecular_functionstructural constituent of ribosome
I0000049molecular_functiontRNA binding
I0006412biological_processtranslation
V0005840cellular_componentribosome
V0019843molecular_functionrRNA binding
?

Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC13BINDING SITE FOR RESIDUE MG A 2545
ChainResidue
AC701
AG703
AC1452

AC22BINDING SITE FOR RESIDUE MG A 2547
ChainResidue
AG581
AG758

AC31BINDING SITE FOR RESIDUE MG A 2548
ChainResidue
AG309

AC44BINDING SITE FOR RESIDUE MG A 2549
ChainResidue
AC58
AA59
AU387
AG388

AC55BINDING SITE FOR RESIDUE MG A 2550
ChainResidue
AG11
AU12
AG21
AG22
AC23

AC63BINDING SITE FOR RESIDUE MG A 2551
ChainResidue
AG976
AU1358
AC1359

AC72BINDING SITE FOR RESIDUE MG A 2552
ChainResidue
AG376
AG377

AC82BINDING SITE FOR RESIDUE MG A 2553
ChainResidue
AC749
AG750

AC92BINDING SITE FOR RESIDUE MG A 2554
ChainResidue
AA684
AG685

BC12BINDING SITE FOR RESIDUE MG A 2555
ChainResidue
AA766
AC811

BC21BINDING SITE FOR RESIDUE MG A 2556
ChainResidue
AA768

BC32BINDING SITE FOR RESIDUE MG A 2557
ChainResidue
AU772
AG773

BC41BINDING SITE FOR RESIDUE MG A 2558
ChainResidue
AA777

BC52BINDING SITE FOR RESIDUE MG A 2559
ChainResidue
AA780
AG800

BC63BINDING SITE FOR RESIDUE MG A 2560
ChainResidue
AG577
AC578
AC817

BC71BINDING SITE FOR RESIDUE MG A 2561
ChainResidue
AG854

BC81BINDING SITE FOR RESIDUE MG A 2562
ChainResidue
AG362

BC93BINDING SITE FOR RESIDUE MG A 2563
ChainResidue
AG506
AA509
AA510

CC13BINDING SITE FOR RESIDUE MG A 2564
ChainResidue
AA559
AU560
AC562

CC21BINDING SITE FOR RESIDUE MG A 2566
ChainResidue
AA572

CC32BINDING SITE FOR RESIDUE MG A 2567
ChainResidue
AG21
AA573

CC43BINDING SITE FOR RESIDUE MG A 2568
ChainResidue
AC48
AU49
AG115

CC54BINDING SITE FOR RESIDUE MG A 2569
ChainResidue
AG595
AC596
AG597
AU598

CC63BINDING SITE FOR RESIDUE MG A 2570
ChainResidue
AU1083
AU1086
AMG2596

CC71BINDING SITE FOR RESIDUE MG A 2571
ChainResidue
AA864

CC83BINDING SITE FOR RESIDUE MG A 2572
ChainResidue
AG885
AG886
AU911

CC91BINDING SITE FOR RESIDUE MG A 2573
ChainResidue
AG1385

DC11BINDING SITE FOR RESIDUE MG A 2574
ChainResidue
AA937

DC21BINDING SITE FOR RESIDUE MG A 2575
ChainResidue
AC934

DC32BINDING SITE FOR RESIDUE MG A 2576
ChainResidue
AG1370
AG1371

DC42BINDING SITE FOR RESIDUE MG A 2578
ChainResidue
AG587
AG588

DC52BINDING SITE FOR RESIDUE MG A 2579
ChainResidue
AG944
AG945

DC62BINDING SITE FOR RESIDUE MG A 2580
ChainResidue
AA964
AU1199

DC75BINDING SITE FOR RESIDUE MG A 2581
ChainResidue
AC979
AC980
AU981
AG1221
AG1222

DC81BINDING SITE FOR RESIDUE MG A 2582
ChainResidue
AC980

DC94BINDING SITE FOR RESIDUE MG A 2583
ChainResidue
AG1053
AC1054
AG1197
AK2683

EC13BINDING SITE FOR RESIDUE MG A 2584
ChainResidue
AC1054
AG1197
AG1198

EC22BINDING SITE FOR RESIDUE MG A 2585
ChainResidue
AG1461
AG1462

EC36BINDING SITE FOR RESIDUE MG A 2586
ChainResidue
AG299
AA300
AG558
AU560
AG566
AMG2693

EC41BINDING SITE FOR RESIDUE MG A 2587
ChainResidue
AG324

EC54BINDING SITE FOR RESIDUE MG A 2588
ChainResidue
AU571
AA572
AA573
AA574

EC62BINDING SITE FOR RESIDUE MG A 2589
ChainResidue
AA608
AA609

EC71BINDING SITE FOR RESIDUE MG A 2590
ChainResidue
AG700

EC82BINDING SITE FOR RESIDUE MG A 2591
ChainResidue
AA53
AA353

EC92BINDING SITE FOR RESIDUE MG A 2592
ChainResidue
AU1065
AC1066

FC13BINDING SITE FOR RESIDUE MG A 2593
ChainResidue
AA865
AC866
AG1079

FC23BINDING SITE FOR RESIDUE MG A 2594
ChainResidue
AG1068
AG1094
AG1387

FC32BINDING SITE FOR RESIDUE MG A 2595
ChainResidue
AU1095
AG1108

FC43BINDING SITE FOR RESIDUE MG A 2596
ChainResidue
AU1083
AU1086
AMG2570

FC51BINDING SITE FOR RESIDUE MG A 2597
ChainResidue
AG286

FC61BINDING SITE FOR RESIDUE MG A 2598
ChainResidue
AG1224

FC71BINDING SITE FOR RESIDUE MG A 2599
ChainResidue
AG1266

FC81BINDING SITE FOR RESIDUE MG A 2600
ChainResidue
AG903

FC95BINDING SITE FOR RESIDUE MG A 2601
ChainResidue
AC924
AG925
AG927
AU1390
AU1391

GC11BINDING SITE FOR RESIDUE MG A 2602
ChainResidue
AG1526

GC25BINDING SITE FOR RESIDUE MG A 2603
ChainResidue
AU1498
AA1499
AA1500
AG1504
AG1505

GC31BINDING SITE FOR RESIDUE MG A 2604
ChainResidue
AA101

GC41BINDING SITE FOR RESIDUE MG A 2605
ChainResidue
AU45

GC52BINDING SITE FOR RESIDUE MG A 2606
ChainResidue
AU37
AG38

GC62BINDING SITE FOR RESIDUE MG A 2607
ChainResidue
AG181
AA195

GC74BINDING SITE FOR RESIDUE MG A 2608
ChainResidue
AG189
AC189
AG189
AU189

GC81BINDING SITE FOR RESIDUE MG A 2609
ChainResidue
AC536

GC94BINDING SITE FOR RESIDUE MG A 2610
ChainResidue
AA116
AG117
AU118
AG289

HC11BINDING SITE FOR RESIDUE MG A 2611
ChainResidue
AC352

HC24BINDING SITE FOR RESIDUE MG A 2612
ChainResidue
AC372
AU375
AG376
AU387

HC32BINDING SITE FOR RESIDUE MG A 2613
ChainResidue
AG410
AA431

HC42BINDING SITE FOR RESIDUE MG A 2614
ChainResidue
AA782
AA794

HC55BINDING SITE FOR RESIDUE MG A 2615
ChainResidue
AG1053
AG1058
AC1059
AG1198
AU1199

HC63BINDING SITE FOR RESIDUE MG A 2616
ChainResidue
AC1303
AG1304
VASP4

HC74BINDING SITE FOR RESIDUE MG A 2617
ChainResidue
AG46
AC366
AU367
AG394

HC82BINDING SITE FOR RESIDUE MG A 2618
ChainResidue
AG146
AG147

HC92BINDING SITE FOR RESIDUE MG A 2619
ChainResidue
AG145
AG146

IC12BINDING SITE FOR RESIDUE MG A 2620
ChainResidue
AU182
AG183

IC23BINDING SITE FOR RESIDUE MG A 2621
ChainResidue
AU788
AU789
AA792

IC33BINDING SITE FOR RESIDUE MG A 2622
ChainResidue
AU789
AA790
AG791

IC43BINDING SITE FOR RESIDUE MG A 2623
ChainResidue
AU1528
AG1529
AG1530

IC54BINDING SITE FOR RESIDUE MG A 2624
ChainResidue
AC518
AG530
LPRO44
WC3

IC63BINDING SITE FOR RESIDUE MG A 2625
ChainResidue
AC518
AG529
LASN45

IC71BINDING SITE FOR RESIDUE MG A 2626
ChainResidue
AG259

IC83BINDING SITE FOR RESIDUE MG A 2627
ChainResidue
AG255
AG266
QILE64

IC94BINDING SITE FOR RESIDUE MG A 2628
ChainResidue
AC817
AG818
AC1527
AU1528

JC12BINDING SITE FOR RESIDUE MG A 2629
ChainResidue
AC795
AU1506

JC24BINDING SITE FOR RESIDUE MG A 2630
ChainResidue
AG69
AG70
AG98
AU99

JC34BINDING SITE FOR RESIDUE MG A 2631
ChainResidue
AG575
AG576
AG758
AC880

JC43BINDING SITE FOR RESIDUE MG A 2632
ChainResidue
AA59
AC386
AU387

JC53BINDING SITE FOR RESIDUE MG A 2633
ChainResidue
AA33
AG396
AC398

JC65BINDING SITE FOR RESIDUE MG A 2634
ChainResidue
AU12
AU13
AC526
AG527
AA914

JC73BINDING SITE FOR RESIDUE MG A 2635
ChainResidue
AG902
AG903
AU1512

JC84BINDING SITE FOR RESIDUE MG A 2636
ChainResidue
AU833
AC834
AG852
AG853

JC94BINDING SITE FOR RESIDUE MG A 2637
ChainResidue
AA563
AC564
LARG11
QTYR31

KC14BINDING SITE FOR RESIDUE MG A 2638
ChainResidue
AC934
AA935
AC936
AG1343

KC23BINDING SITE FOR RESIDUE MG A 2639
ChainResidue
AU921
AG922
AU1393

KC33BINDING SITE FOR RESIDUE MG A 2640
ChainResidue
AG15
AA16
AU920

KC42BINDING SITE FOR RESIDUE MG A 2641
ChainResidue
AC972
JLYS55

KC54BINDING SITE FOR RESIDUE MG A 2642
ChainResidue
AU1073
AG1074
AG1082
AU1083

KC63BINDING SITE FOR RESIDUE MG A 2643
ChainResidue
AU955
AC1226
SARG80

KC76BINDING SITE FOR RESIDUE MG A 2644
ChainResidue
AC121
AG124
AU125
AG126
AC235
AG236

KC82BINDING SITE FOR RESIDUE MG A 2645
ChainResidue
AU125
AG126

KC96BINDING SITE FOR RESIDUE MG A 2646
ChainResidue
AU1510
AG1511
AU1512
AU1522
AG1523
AC1524

LC16BINDING SITE FOR RESIDUE MG A 2647
ChainResidue
AA1500
AG1504
AG1505
AA1507
AG1508
AMG2688

LC24BINDING SITE FOR RESIDUE MG A 2648
ChainResidue
AA1499
AA1500
AG1508
AG1521

LC35BINDING SITE FOR RESIDUE MG A 2649
ChainResidue
AA1396
AC1397
AA1398
AG1401
AC1402

LC44BINDING SITE FOR RESIDUE MG A 2650
ChainResidue
AG61
AU62
AG105
AC106

LC52BINDING SITE FOR RESIDUE MG A 2651
ChainResidue
AC280
QSER38

LC64BINDING SITE FOR RESIDUE MG A 2652
ChainResidue
AU252
AG266
AC268
QLYS66

LC72BINDING SITE FOR RESIDUE MG A 2653
ChainResidue
AG317
AG318

LC83BINDING SITE FOR RESIDUE MG A 2654
ChainResidue
AC314
AA315
AG318

LC93BINDING SITE FOR RESIDUE MG A 2655
ChainResidue
AA329
AG332
AG333

MC12BINDING SITE FOR RESIDUE MG A 2656
ChainResidue
AA547
AG548

MC23BINDING SITE FOR RESIDUE MG A 2657
ChainResidue
AG450
AA451
AA452

MC34BINDING SITE FOR RESIDUE MG A 2658
ChainResidue
AC449
AG450
AA451
AG481

MC45BINDING SITE FOR RESIDUE MG A 2659
ChainResidue
AA563
AC564
AU565
AG566
AG567

MC54BINDING SITE FOR RESIDUE MG A 2660
ChainResidue
AG604
AU605
AG633
AC634

MC64BINDING SITE FOR RESIDUE MG A 2661
ChainResidue
AG830
AU831
AG855
AC856

MC72BINDING SITE FOR RESIDUE MG A 2662
ChainResidue
AA889
AG890

MC82BINDING SITE FOR RESIDUE MG A 2663
ChainResidue
AA1324
AC1363

MC94BINDING SITE FOR RESIDUE MG A 2664
ChainResidue
AG1224
AA1225
AC1322
MGLN100

NC12BINDING SITE FOR RESIDUE MG A 2665
ChainResidue
AA1319
AC1322

NC23BINDING SITE FOR RESIDUE MG A 2666
ChainResidue
AG1082
AU1083
AG1084

NC33BINDING SITE FOR RESIDUE MG A 2667
ChainResidue
AA1238
AA1299
AC1335

NC43BINDING SITE FOR RESIDUE MG A 2668
ChainResidue
AG926
AU1542
AC1543

NC52BINDING SITE FOR RESIDUE MG A 2669
ChainResidue
AC940
GGLN105

NC63BINDING SITE FOR RESIDUE MG A 2670
ChainResidue
AA965
AG1197
AG1198

NC73BINDING SITE FOR RESIDUE K A 2671
ChainResidue
AG293
AU304
AG305

NC83BINDING SITE FOR RESIDUE K A 2672
ChainResidue
AU133
AU229
AG230

NC91BINDING SITE FOR RESIDUE K A 2673
ChainResidue
AU863

OC11BINDING SITE FOR RESIDUE K A 2674
ChainResidue
AG576

OC23BINDING SITE FOR RESIDUE K A 2675
ChainResidue
AG257
AG258
AG266

OC33BINDING SITE FOR RESIDUE K A 2676
ChainResidue
AU512
AU534
AA535

OC42BINDING SITE FOR RESIDUE K A 2677
ChainResidue
AG557
AG558

OC52BINDING SITE FOR RESIDUE K A 2678
ChainResidue
AG1185
AG1186

OC62BINDING SITE FOR RESIDUE K A 2679
ChainResidue
AG247
AG278

OC72BINDING SITE FOR RESIDUE K A 2680
ChainResidue
AA1332
AA1333

OC83BINDING SITE FOR RESIDUE K A 2681
ChainResidue
AU129
AG231
AG232

OC92BINDING SITE FOR RESIDUE K A 2682
ChainResidue
AG226
AG227

PC14BINDING SITE FOR RESIDUE K A 2683
ChainResidue
AC1054
AU1196
AG1197
AMG2583

PC22BINDING SITE FOR RESIDUE MG A 2684
ChainResidue
AC620
AA621

PC33BINDING SITE FOR RESIDUE MG A 2685
ChainResidue
AG80
AU81
AU83

PC43BINDING SITE FOR RESIDUE MG A 2686
ChainResidue
AG926
AG927
AMG2687

PC54BINDING SITE FOR RESIDUE MG A 2687
ChainResidue
AA1503
AG1504
AA1507
AMG2686

PC67BINDING SITE FOR RESIDUE MG A 2688
ChainResidue
AA1500
AG1504
AG1505
AU1506
AA1507
AG1508
AMG2647

PC72BINDING SITE FOR RESIDUE MG A 2689
ChainResidue
AA1110
AA1111

PC83BINDING SITE FOR RESIDUE MG A 2690
ChainResidue
AC458
AG460
AC470

PC94BINDING SITE FOR RESIDUE MG A 2691
ChainResidue
AC1100
AA1102
AC1103
BMG1235

QC13BINDING SITE FOR RESIDUE MG A 2692
ChainResidue
AG584
AG585
AG758

QC24BINDING SITE FOR RESIDUE MG A 2693
ChainResidue
AA298
AG299
AG558
AMG2586

QC31BINDING SITE FOR RESIDUE MG A 2694
ChainResidue
AG492

QC41BINDING SITE FOR RESIDUE MG A 2695
ChainResidue
AG577

QC52BINDING SITE FOR RESIDUE MG A 2696
ChainResidue
AA1492
AA1493

QC62BINDING SITE FOR RESIDUE MG A 2697
ChainResidue
AG1405
ARPO2800

QC74BINDING SITE FOR RESIDUE MG A 2698
ChainResidue
AU1406
AU1495
AC1496
AG1517

QC81BINDING SITE FOR RESIDUE MG A 2700
ChainResidue
AG1120

QC92BINDING SITE FOR RESIDUE MG A 2705
ChainResidue
AG1441
TTHR28

RC11BINDING SITE FOR RESIDUE MG A 2709
ChainResidue
AG1520

RC213BINDING SITE FOR RESIDUE RPO A 2800
ChainResidue
AG1405
AU1406
AC1407
AA1408
AC1409
AC1490
AG1491
AA1492
AA1493
AG1494
AU1495
AMG2697
LTHR40

RC32BINDING SITE FOR RESIDUE MG B 1235
ChainResidue
AMG2691
BARG90

RC45BINDING SITE FOR RESIDUE ZN D 1209
ChainResidue
DCYS8
DCYS11
DLEU18
DCYS25
DCYS30

RC52BINDING SITE FOR RESIDUE MG E 1151
ChainResidue
EGLU64
EPRO66

RC63BINDING SITE FOR RESIDUE MG F 1102
ChainResidue
FARG80
FARG82
FVAL85

RC73BINDING SITE FOR RESIDUE MG H 1139
ChainResidue
HARG14
HHIS82
HILE83

RC84BINDING SITE FOR RESIDUE MG K 1120
ChainResidue
AG691
AU692
KASN16
KGLY42

RC91BINDING SITE FOR RESIDUE MG K 1121
ChainResidue
KARG110

SC13BINDING SITE FOR RESIDUE MG L 1125
ChainResidue
AG1491
LVAL39
LTHR40

SC23BINDING SITE FOR RESIDUE MG L 1126
ChainResidue
LVAL20
LALA22
LALA26

SC35BINDING SITE FOR RESIDUE MG M 1126
ChainResidue
AU1330
MTHR19
MILE21
MTYR22
MILE24

SC45BINDING SITE FOR RESIDUE ZN N 1061
ChainResidue
NCYS23
NCYS26
NARG28
NCYS39
NCYS42

SC52BINDING SITE FOR RESIDUE MG T 1100
ChainResidue
TSER4
TALA5

?

Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
RPO_4b3s_A_280015(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE binding site
ChainResidueligand
AG1405-C1409RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
AG1489-C1496RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
LTHR40-PRO41RPO: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-{[3-O-(2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL)-BETA-D-RIBOFURANOSYL]OXY}-3-HYDROXYCYCLOHEXYL 2-AMINO-4-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE

?

Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
?

Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
?

Catalytic Information from CSA

site_idNumber of ResiduesDetails
?

Catalytic Information from CATRES

site_idNumber of ResiduesDetails

> Sequence Neighbor

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