3MBO

crystal structure of the glycosyltransferase babsha bound with udp and l-malate

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 81
  • Norm. En. per Res.: -2.7945
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-59.9747	14.281	-239.482	-285.1757	147	22	12	15002	0	7	8
A-C	-3.9762	-9.4237	573.028	559.6281	79	6	0	3272	1	5	6
A-D	-7.2195	-62.9846	-156.15	-226.3541	81	7	2	6354	6	33	35
B-C	-14.2554	-35.8583	-106.507	-156.6207	86	14	2	5660	3	34	32
C-D	-31.1898	28.7498	-288.97	-291.41	151	12	10	14714	0	8	7
C-E	-22.0953	-43.6703	-135.91	-201.6757	82	3	0	5800	3	45	50
E-F	0.0	13.8072	-204.136	-190.3288	148	10	11	14657	0	9	7
E-G	-20.2387	-62.3593	-119.392	-201.99	77	11	3	5222	4	34	37
E-H	-3.4277	0.0	602.889	599.4613	88	24	0	3937	0	7	4
F-H	-7.4756	-14.3486	-140.518	-162.3422	84	12	3	6219	7	35	31
G-H	0.0	14.3652	-281.226	-266.8608	146	34	15	15512	0	6	7

Interface residues

• A-B: ALA105A, ALA105B, ALA73A, ALA73B, ALA75A, ALA75B, ALA79A, ALA79B, ALA82A, ALA95A, ALA95B, ALA99A, ALA99B, ARG138A, ARG138B, ARG208A, ARG208B, ARG84A, ASN134A, ASN134B, ASN135A, ASN135B, ASN206A, ASN206B, ASN60A, ASN60B, ASP123A, ASP130A, ASP130B, ASP71A, ASP71B, CYS101A, CYS101B, CYS9A, CYS9B, GLN107A, GLN107B, GLN143A, GLN143B, GLN61A, GLN61B, GLN66A, GLN66B, GLN83A, GLN83B, GLU111A, GLU142A, GLU142B, GLU56A, GLU80A, GLU80B, GLY110A, GLY110B, GLY140A, GLY140B, GLY14A, GLY14B, GLY15B, GLY40A, GLY40B, HIS98A, HIS98B, ILE100A, ILE100B, ILE109A, ILE109B, ILE137A, ILE137B, ILE96A, ILE96B, LEU104A, LEU104B, LEU127A, LEU127B, LEU133A, LEU133B, LEU136A, LEU136B, LEU72A, LEU72B, LEU74A, LEU74B, LYS106A, LYS106B, LYS209A, LYS77A, LYS77B, MET108A, MET108B, MET78A, PHE139A, PHE139B, PHE207A, PHE207B, PHE65A, PHE65B, PRO11A, PRO11B, PRO131A, PRO131B, PRO238A, PRO238B, PRO68A, PRO68B, PRO69A, PRO69B, PRO97A, PRO97B, SER129B, SER12A, SER132A, SER132B, SER16A, SER16B, SER39A, SER39B, SER63A, SER63B, SER76A, SER76B, THR122A, THR122B, THR58A, THR58B, TYR103A, TYR103B, TYR10A, TYR10B, TYR62A, TYR62B, TYR67A, TYR67B, TYR70A, TYR70B, TYR94A, TYR94B, VAL126A, VAL126B, VAL13A, VAL13B, VAL57A, VAL57B, VAL59A, VAL59B, VAL64A, VAL64B, VAL81A
• A-C: ALA266A, ARG183A, ARG183C, ARG44C, ASN264A, ASN264C, ASN60A, ASN60C, ASP184A, ASP184C, ASP236A, ASP236C, ASP263C, CYS241A, CYS241C, GLN187A, GLN187C, GLN245A, GLN245C, GLN61A, GLN66A, GLN66C, GLU191A, GLU191C, GLU239A, GLU267A, GLU267C, GLU56A, GLU56C, GLY237A, GLY237C, GLY40A, GLY40C, ILE243C, LEU188A, LEU188C, LEU244A, LEU244C, LEU41A, LEU41C, LYS190A, LYS248A, LYS248C, LYS25A, LYS261C, LYS47C, MET185A, PHE181A, PHE181C, PHE240A, PHE240C, PHE258C, PHE43A, PHE54C, PHE65A, PHE65C, PRO238A, PRO238C, PRO68A, PRO68C, SER39A, SER63A, THR186A, THR242A, THR242C, THR58A, THR58C, TYR49A, TYR49C, TYR62A, TYR62C, TYR67A, TYR67C, VAL48A, VAL48C, VAL57A, VAL59A, VAL64A, VAL64C
• A-D: ALA270A, ALA293A, ARG178A, ARG183A, ARG208D, ARG342A, ARG349A, ARG357A, ASN206D, ASN60D, ASP176A, ASP184A, ASP236D, ASP263A, ASP263D, CYS241D, CYS294A, GLN187A, GLN214D, GLN245D, GLN262D, GLU177A, GLU191A, GLU191D, GLU198A, GLU239D, GLU253D, GLU346A, GLU350A, GLU354A, GLU359A, GLU56D, GLY14D, GLY235D, GLY237D, GLY260D, GLY295A, GLY40D, ILE243D, LEU188A, LEU244D, LEU257D, LEU259D, LEU41D, LYS182A, LYS189A, LYS190A, LYS209D, LYS248D, LYS261D, LYS360A, MET185A, MET271A, PHE181A, PHE207D, PHE240D, PHE258D, PRO11D, PRO238D, PRO42D, PRO68D, SER12D, SER195A, SER358A, SER39D, THR186A, THR242D, THR38D, THR58D, TYR10D, TYR180A, TYR192D, TYR353A, TYR67D, TYR70D, VAL13D, VAL179A, VAL352A, VAL57D, VAL59D, VAL64D
• B-C: ALA270C, ALA293C, ARG178C, ARG183C, ARG208B, ARG342C, ARG347C, ARG349C, ARG357C, ASN206B, ASN249B, ASN60B, ASP176C, ASP184C, ASP236B, ASP263B, ASP263C, CYS241B, CYS294C, CYS9B, GLN187C, GLN245B, GLN262B, GLN262C, GLN66B, GLU177C, GLU191B, GLU191C, GLU239B, GLU253B, GLU339C, GLU346C, GLU350C, GLU354C, GLU359C, GLU56B, GLY14B, GLY235B, GLY237B, GLY260B, GLY260C, GLY295C, GLY40B, HIS98B, ILE243B, LEU244B, LEU246B, LEU257B, LEU259B, LEU259C, LEU41B, LYS182C, LYS189C, LYS190C, LYS209B, LYS248B, LYS261B, MET185C, MET271C, PHE181C, PHE207B, PHE240B, PHE258B, PHE54B, PHE65B, PRO11B, PRO238B, PRO42B, PRO68B, SER358C, SER39B, THR186C, THR242B, THR38B, TYR10B, TYR180C, TYR192B, TYR192C, TYR353C, TYR49C, TYR62B, TYR70B, VAL13B, VAL179C, VAL352C, VAL59B
• C-D: ALA102C, ALA105C, ALA105D, ALA73C, ALA73D, ALA75C, ALA75D, ALA79C, ALA79D, ALA82C, ALA95C, ALA95D, ALA99C, ALA99D, ARG138C, ARG138D, ARG208C, ARG208D, ARG84C, ASN134C, ASN134D, ASN135C, ASN135D, ASN206C, ASN206D, ASN60C, ASN60D, ASP123C, ASP123D, ASP130C, ASP130D, ASP71C, ASP71D, CYS101C, CYS101D, GLN107C, GLN107D, GLN143C, GLN143D, GLN61C, GLN66C, GLN66D, GLN83C, GLN83D, GLU111D, GLU142C, GLU142D, GLU239C, GLU80C, GLU80D, GLY110C, GLY110D, GLY128D, GLY140C, GLY140D, GLY14C, GLY14D, GLY15D, GLY17D, GLY237D, GLY40C, GLY40D, HIS98C, HIS98D, ILE100C, ILE100D, ILE109C, ILE109D, ILE137C, ILE137D, ILE96C, ILE96D, LEU104C, LEU104D, LEU127C, LEU127D, LEU133C, LEU133D, LEU136C, LEU136D, LEU41D, LEU72C, LEU72D, LEU74C, LEU74D, LYS106C, LYS106D, LYS209C, LYS281D, LYS77C, LYS77D, MET108C, MET108D, MET78C, MET78D, PHE139C, PHE139D, PHE65C, PHE65D, PRO11C, PRO11D, PRO131C, PRO131D, PRO238C, PRO238D, PRO42D, PRO68C, PRO68D, PRO69C, PRO69D, PRO97C, PRO97D, SER129D, SER12C, SER12D, SER132C, SER132D, SER16C, SER16D, SER39C, SER39D, SER63C, SER63D, SER76C, SER76D, THR122C, THR122D, THR58C, THR58D, TYR103C, TYR103D, TYR10C, TYR10D, TYR62C, TYR67C, TYR67D, TYR70C, TYR70D, TYR94C, TYR94D, VAL126C, VAL126D, VAL13D, VAL57C, VAL57D, VAL59C, VAL59D, VAL64C, VAL64D, VAL81C, VAL81D
• C-E: ALA149E, ARG138E, ARG302C, ARG302E, ARG347C, ASN156C, ASN156E, ASN165C, ASN165E, ASP167C, ASP167E, ASP314C, ASP314E, CYS319C, CYS319E, GLN169C, GLN169E, GLN311C, GLN311E, GLN330C, GLN333C, GLN355E, GLU142C, GLU142E, GLU157C, GLU157E, GLU160C, GLU160E, GLU308C, GLU308E, GLU320C, GLU320E, GLU354E, GLY304C, GLY305C, GLY313C, GLY313E, GLY316C, HIS152C, HIS152E, HIS159C, HIS159E, HIS312C, HIS312E, ILE155C, ILE155E, ILE168C, ILE168E, ILE310C, ILE310E, LEU154C, LEU161C, LEU161E, LEU318C, LEU318E, LEU340C, LYS163C, LYS163E, LYS166C, LYS166E, MET344C, PRO164C, PRO164E, PRO307C, PRO307E, SER151C, SER153C, SER153E, THR148E, THR158C, THR158E, THR170C, THR170E, THR315C, TYR172C, TYR172E, TYR317C, TYR317E, VAL162C, VAL162E, VAL303C, VAL309E
• E-F: ALA105E, ALA105F, ALA73E, ALA73F, ALA75E, ALA75F, ALA79E, ALA79F, ALA82E, ALA95E, ALA95F, ALA99E, ALA99F, ARG138E, ARG138F, ARG208E, ARG208F, ASN134E, ASN134F, ASN135E, ASN135F, ASN206E, ASN206F, ASN60E, ASN60F, ASP123E, ASP123F, ASP130E, ASP130F, ASP71E, ASP71F, CYS101E, CYS101F, CYS9F, GLN107E, GLN107F, GLN143E, GLN143F, GLN61E, GLN61F, GLN66E, GLN66F, GLN83E, GLN83F, GLU142F, GLU56E, GLU56F, GLU80E, GLU80F, GLY110E, GLY110F, GLY121E, GLY140E, GLY140F, GLY14E, GLY15F, GLY17E, GLY237E, GLY40E, GLY40F, HIS120E, HIS98E, HIS98F, ILE100E, ILE100F, ILE109E, ILE109F, ILE137E, ILE137F, ILE37E, ILE96E, ILE96F, LEU104E, LEU104F, LEU127E, LEU127F, LEU133E, LEU133F, LEU136E, LEU136F, LEU41F, LEU72E, LEU72F, LEU74E, LEU74F, LYS106E, LYS106F, LYS209E, LYS209F, LYS77E, LYS77F, MET108E, MET108F, MET78E, PHE139E, PHE139F, PHE207E, PHE65E, PHE65F, PRO11E, PRO11F, PRO131E, PRO131F, PRO238E, PRO42F, PRO68E, PRO68F, PRO69E, PRO69F, PRO97E, PRO97F, SER132E, SER132F, SER16E, SER16F, SER39E, SER39F, SER63E, SER63F, SER76E, SER76F, THR122E, THR122F, THR125E, THR58E, THR58F, TYR103E, TYR103F, TYR10E, TYR10F, TYR62E, TYR62F, TYR67E, TYR67F, TYR70E, TYR70F, TYR94E, TYR94F, VAL126E, VAL126F, VAL13E, VAL57E, VAL57F, VAL59E, VAL59F, VAL64E, VAL64F, VAL81E
• E-G: ALA270E, ALA293E, ARG178E, ARG183E, ARG208G, ARG342E, ARG349E, ARG357E, ASN60G, ASP184E, ASP236G, ASP263E, ASP263G, CYS241G, CYS294E, GLN187E, GLN245G, GLN262E, GLN262G, GLN66G, GLU177E, GLU191E, GLU191G, GLU198E, GLU239G, GLU253G, GLU339E, GLU346E, GLU350E, GLU354E, GLU359E, GLU56G, GLY235G, GLY237G, GLY260G, GLY295E, GLY40G, LEU188E, LEU244G, LEU257G, LEU259E, LEU259G, LYS182E, LYS189E, LYS190E, LYS209G, LYS248G, LYS261G, LYS47E, MET185E, MET271E, PHE181E, PHE207G, PHE240G, PHE258E, PHE258G, PHE65G, PRO11G, PRO131G, PRO238G, PRO68G, SER358E, SER39G, THR186E, THR242G, THR58G, TYR10G, TYR180E, TYR192E, TYR192G, TYR353E, TYR62G, TYR70G, VAL179E, VAL352E, VAL57G, VAL59G
• E-H: ARG183E, ARG183H, ARG44E, ASN249E, ASN249H, ASN264E, ASN264H, ASN46E, ASN60E, ASN60H, ASP184E, ASP184H, ASP236E, ASP236H, ASP263E, ASP263H, CYS241E, CYS241H, GLN187E, GLN187H, GLN245E, GLN245H, GLN66E, GLN66H, GLU191E, GLU191H, GLU239H, GLU267E, GLU267H, GLU56E, GLU56H, GLY237E, GLY237H, GLY40E, GLY40H, ILE243E, ILE243H, LEU188E, LEU188H, LEU244E, LEU244H, LEU246E, LEU41E, LEU41H, LEU45E, LYS189H, LYS190H, LYS248E, LYS248H, LYS261E, LYS261H, LYS47E, LYS47H, MET185E, MET185H, PHE181E, PHE181H, PHE240E, PHE240H, PHE43E, PHE54E, PHE65E, PHE65H, PRO238E, PRO238H, PRO68E, PRO68H, SER39H, SER63E, SER63H, THR186E, THR186H, THR242E, THR242H, THR58E, THR58H, TYR192E, TYR192H, TYR49H, TYR62E, TYR67E, TYR67H, VAL179E, VAL48E, VAL48H, VAL59H, VAL64E, VAL64H
• F-H: ALA270H, ALA293H, ARG178H, ARG183H, ARG208F, ARG342H, ARG347H, ARG349H, ARG357H, ASN206F, ASN249F, ASN60F, ASP184H, ASP236F, ASP263F, ASP273H, CYS241F, CYS294H, GLN187H, GLN245F, GLN262F, GLN262H, GLU177H, GLU191F, GLU191H, GLU198H, GLU239F, GLU253F, GLU346H, GLU350H, GLU354H, GLU359H, GLU56F, GLY193H, GLY235F, GLY237F, GLY260F, GLY295H, GLY40F, LEU188H, LEU244F, LEU246F, LEU257F, LEU259F, LEU259H, LEU41F, LYS182H, LYS189H, LYS190H, LYS209F, LYS248F, LYS261F, LYS261H, MET185H, MET271H, PHE181H, PHE207F, PHE240F, PHE258F, PRO11F, PRO238F, PRO42F, PRO68F, SER195H, SER272H, SER358H, SER39F, THR186H, THR242F, THR38F, THR58F, TYR10F, TYR180H, TYR192F, TYR192H, TYR353H, TYR62F, TYR67F, VAL179H, VAL234F, VAL352H, VAL57F, VAL59F, VAL64F
• G-H: ALA102H, ALA105G, ALA105H, ALA73G, ALA73H, ALA75G, ALA75H, ALA79G, ALA79H, ALA82H, ALA95G, ALA95H, ALA99G, ALA99H, ARG138G, ARG138H, ARG208G, ARG208H, ARG84H, ASN134G, ASN134H, ASN135G, ASN135H, ASN206G, ASN206H, ASN60G, ASN60H, ASP123G, ASP123H, ASP130G, ASP130H, ASP71G, ASP71H, CYS101G, CYS101H, CYS9G, CYS9H, GLN107G, GLN107H, GLN143G, GLN143H, GLN61G, GLN66G, GLN66H, GLN83G, GLN83H, GLU111G, GLU111H, GLU142G, GLU142H, GLU80G, GLU80H, GLY110G, GLY110H, GLY128H, GLY140G, GLY140H, GLY14H, GLY15G, GLY17G, HIS98G, HIS98H, ILE100G, ILE100H, ILE109G, ILE109H, ILE137G, ILE137H, ILE96G, ILE96H, LEU104G, LEU104H, LEU127G, LEU127H, LEU133G, LEU133H, LEU136G, LEU136H, LEU72G, LEU72H, LEU74G, LEU74H, LYS106G, LYS106H, LYS77G, LYS77H, MET108G, MET108H, MET78H, PHE139G, PHE139H, PHE207G, PHE65G, PHE65H, PRO11G, PRO11H, PRO131G, PRO131H, PRO238G, PRO238H, PRO68G, PRO68H, PRO69G, PRO69H, PRO97G, PRO97H, SER129H, SER12H, SER132G, SER132H, SER16G, SER16H, SER39G, SER39H, SER63G, SER63H, SER76G, SER76H, THR122G, THR122H, THR38G, THR38H, THR58G, THR58H, THR8H, TYR103G, TYR103H, TYR10G, TYR10H, TYR62G, TYR67G, TYR67H, TYR70G, TYR70H, TYR94G, TYR94H, VAL126G, VAL126H, VAL13H, VAL57G, VAL57H, VAL59G, VAL59H, VAL64G, VAL64H, VAL81H