3M2P

the crystal structure of udp-n-acetylglucosamine 4-epimerase from bacillus cereus

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -3.954
• Hub Node: A(5)

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	-50.8772	-99.0189	-296.909	-446.8051	113	16	10	12183	10	48	36
A-C	-43.3954	-24.8858	-111.228	-179.5092	64	11	4	5275	5	43	31
A-D	0.0	0.0	-9.2603	-9.2603	13	0	0	465	0	0	4
A-E	-24.1927	7.2793	-65.5309	-82.4443	42	5	1	2822	0	9	10
A-F	0.0	-9.5669	-6.156	-15.7229	15	1	0	386	1	5	10
B-C	0.0	-10.0549	-12.3473	-22.4022	21	2	0	811	1	7	12
B-D	0.0	12.9274	-64.787	-51.8596	41	7	1	2994	0	11	12
C-D	0.0	-10.4219	-8.1363	-18.5582	19	0	0	584	1	6	10
C-F	-45.8119	-94.5026	-266.987	-407.3015	112	11	12	11461	10	45	36
D-E	-54.7582	-103.2113	-281.472	-439.4415	118	11	10	12156	8	47	34
D-F	-19.7321	-27.9598	-106.763	-154.4549	63	5	4	5517	4	46	32
E-F	0.0	-7.4609	-11.6621	-19.123	23	0	0	904	0	8	13

Interface residues

• A-B: ALA110A, ALA110B, ALA137A, ALA137B, ARG147A, ARG147B, ARG157A, ARG157B, ASN120A, ASN120B, ASN143A, ASN143B, ASN83A, ASN83B, ASN89A, ASN89B, ASP113A, ASP113B, ASP128A, ASP128B, ASP82A, ASP82B, ASP92A, ASP92B, CYS138A, CYS138B, GLN74A, GLN74B, GLN88A, GLN88B, GLU121A, GLU121B, GLU123A, GLU123B, GLU139A, GLU139B, GLU52B, GLU79A, GLU79B, GLU84A, GLU84B, GLY132A, GLY132B, GLY142A, GLY142B, GLY218A, GLY75A, GLY75B, HIS140A, HIS140B, HIS259A, HIS259B, HIS81A, HIS81B, ILE141A, ILE141B, ILE144A, ILE144B, ILE77A, ILE77B, ILE85A, ILE85B, LEU124A, LEU124B, LEU126A, LEU126B, LEU129A, LEU129B, LEU136A, LEU136B, LEU51A, LEU51B, LEU86A, LEU86B, LYS122A, LYS122B, LYS148A, LYS148B, LYS149A, LYS149B, LYS267A, LYS76A, LYS76B, PHE80A, PHE80B, PRO125A, PRO125B, PRO127A, PRO127B, SER109A, SER109B, SER112A, SER112B, SER116B, SER134A, SER134B, SER146A, SER78A, SER78B, THR115A, THR115B, THR219A, THR219B, THR87A, THR87B, TYR111A, TYR111B, TYR131A, TYR131B, TYR145A, TYR145B, VAL133A, VAL133B
• A-C: ALA268A, ALA268C, ARG147A, ARG147C, ASN101A, ASN120A, ASN120C, ASN143A, ASN143C, ASN155A, ASN155C, ASP264A, ASP264C, ASP273A, ASP273C, CYS152A, CYS152C, GLN213A, GLN213C, GLU121A, GLU121C, GLU214A, GLU214C, GLU270A, GLU270C, GLY150A, GLY218A, GLY218C, LEU151A, LEU151C, LEU1A, LEU211A, LEU271A, LEU271C, LEU272A, LEU272C, LYS122A, LYS122C, LYS154A, LYS154C, LYS212A, LYS212C, LYS215A, LYS215C, LYS267A, LYS267C, LYS269A, LYS269C, PHE220A, PHE220C, SER146A, SER146C, SER217A, SER217C, SER265A, SER265C, SER266A, SER266C, THR219A, THR219C, TYR209A, TYR209C, VAL216A, VAL216C
• A-D: ASP113A, ASP113D, GLU114A, GLU114D, LEU117A, LEU117D, PRO118A, SER116A, SER116D, THR115A, THR115D, TYR262A, TYR262D
• A-E: ALA189A, ALA193A, ALA254A, ALA268E, ASN101E, ASN190A, ASN230A, ASN235A, ASN251A, ASN253A, ASN255A, ASP245A, ASP273E, CYS152E, GLN213E, GLU214E, GLU232A, GLU256A, GLU270E, LEU187A, LEU247A, LEU271E, LEU272E, LYS122E, LYS154E, LYS194A, LYS212E, LYS215E, LYS267E, LYS269E, PHE220E, PHE274E, PRO252A, SER191A, SER217E, SER266E, THR229A, TYR209E, TYR231A, VAL192A, VAL216E, VAL249A
• A-F: ASP113F, ASP264A, GLU114F, GLU270A, GLY225A, LEU126F, LYS269A, SER112F, SER116F, SER224A, SER265A, SER266A, SER275A, THR115F, THR276A
• B-C: ASN279C, ASP113B, ASP264C, GLU114B, GLU270C, GLY225C, HIS259B, LEU124B, LEU126B, LYS194B, LYS267C, LYS269C, PHE274C, SER112B, SER116B, SER224C, SER265C, SER266C, SER275C, THR115B, THR276C
• B-D: ALA189D, ALA193D, ALA234D, ALA268B, ASN190D, ASN230D, ASN235D, ASN251D, ASP245D, ASP273B, GLN213B, GLU121B, GLU232D, GLU270B, LEU187D, LEU228D, LEU247D, LEU248D, LEU271B, LEU272B, LYS122B, LYS154B, LYS194D, LYS212B, LYS215B, LYS250D, LYS267B, LYS269B, PHE220B, PHE274B, SER191D, SER217B, SER266B, SER275B, THR229D, TYR209B, TYR231D, VAL192D, VAL216B, VAL233D, VAL249D
• C-D: ASN279D, ASP113C, ASP264D, GLU114C, GLU270D, GLY225D, LEU124C, LEU126C, LYS269D, PHE274D, SER112C, SER116C, SER224D, SER265D, SER266D, SER275D, THR115C, THR276D, VAL192C
• C-F: ALA110C, ALA110F, ALA137C, ALA137F, ARG147C, ARG147F, ARG157C, ARG157F, ASN120C, ASN120F, ASN143C, ASN143F, ASN83C, ASN83F, ASN89C, ASN89F, ASP113C, ASP113F, ASP128C, ASP128F, ASP82C, ASP82F, ASP92C, ASP92F, CYS138C, CYS138F, GLN74C, GLN74F, GLN88C, GLN88F, GLU121C, GLU121F, GLU123C, GLU123F, GLU139C, GLU139F, GLU52C, GLU52F, GLU79C, GLU79F, GLU84C, GLU84F, GLY132C, GLY132F, GLY142C, GLY142F, GLY218C, GLY218F, GLY75C, GLY75F, HIS140C, HIS140F, HIS259C, HIS259F, HIS81C, HIS81F, ILE141C, ILE141F, ILE144C, ILE144F, ILE258C, ILE77C, ILE77F, ILE85C, ILE85F, LEU124C, LEU124F, LEU126C, LEU126F, LEU129C, LEU129F, LEU136C, LEU136F, LEU51C, LEU51F, LEU86C, LEU86F, LYS122C, LYS122F, LYS148C, LYS148F, LYS149C, LYS149F, LYS267F, LYS76C, LYS76F, PHE80C, PHE80F, PRO125C, PRO125F, PRO127C, PRO127F, SER109C, SER112C, SER112F, SER134C, SER134F, SER78C, SER78F, THR219C, THR219F, THR50F, THR87C, THR87F, TYR111C, TYR111F, TYR131C, TYR131F, TYR145C, TYR145F, VAL133C, VAL133F
• D-E: ALA110D, ALA110E, ALA137D, ALA137E, ARG147D, ARG147E, ARG157D, ARG157E, ASN120D, ASN120E, ASN143D, ASN143E, ASN83D, ASN83E, ASN89D, ASN89E, ASP113D, ASP113E, ASP128D, ASP128E, ASP82D, ASP82E, ASP92D, ASP92E, CYS138D, CYS138E, GLN74D, GLN74E, GLN88D, GLN88E, GLU114E, GLU121D, GLU121E, GLU123D, GLU123E, GLU139D, GLU139E, GLU52D, GLU52E, GLU79D, GLU79E, GLU84D, GLU84E, GLY132D, GLY132E, GLY142D, GLY142E, GLY218D, GLY218E, GLY75D, GLY75E, HIS140D, HIS140E, HIS259E, HIS81D, HIS81E, ILE141D, ILE141E, ILE144D, ILE144E, ILE258E, ILE77D, ILE77E, ILE85D, ILE85E, LEU124D, LEU124E, LEU126D, LEU126E, LEU129D, LEU129E, LEU136D, LEU136E, LEU51D, LEU51E, LEU86D, LEU86E, LYS122D, LYS122E, LYS148D, LYS148E, LYS149D, LYS149E, LYS267D, LYS267E, LYS76D, LYS76E, PHE80D, PHE80E, PRO125D, PRO125E, PRO127D, PRO127E, SER109D, SER109E, SER112D, SER112E, SER116E, SER134D, SER134E, SER146D, SER78D, SER78E, THR115D, THR115E, THR219D, THR219E, THR50D, THR87D, THR87E, TYR111D, TYR111E, TYR131D, TYR131E, TYR145D, TYR145E, VAL133D, VAL133E
• D-F: ALA268D, ALA268F, ARG147D, ARG147F, ASN120D, ASN120F, ASN143D, ASN143F, ASN155D, ASN155F, ASP264D, ASP264F, ASP273D, ASP273F, CYS152D, CYS152F, GLN213D, GLN213F, GLU121D, GLU121F, GLU214D, GLU214F, GLU270D, GLU270F, GLY150D, GLY218D, GLY218F, LEU151D, LEU151F, LEU211D, LEU211F, LEU271D, LEU271F, LEU272D, LEU272F, LYS122D, LYS122F, LYS154D, LYS154F, LYS212D, LYS212F, LYS215D, LYS215F, LYS267D, LYS267F, LYS269D, LYS269F, PHE220D, PHE220F, SER146D, SER146F, SER217D, SER217F, SER265D, SER265F, SER266D, SER266F, THR219D, THR219F, TYR209D, TYR209F, VAL216D, VAL216F
• E-F: ALA193E, ASN279F, ASP113E, ASP264F, GLU114E, GLU270F, GLY223F, GLY225F, HIS259E, LEU124E, LEU126E, LYS194E, LYS267F, LYS269F, PHE274F, SER112E, SER116E, SER224F, SER265F, SER266F, SER275F, THR115E, THR276F