3UHJ

crystal structure of a probable glycerol dehydrogenase from sinorhizobium meliloti 1021

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -4.7269
• Hub Node: A(2)

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	-179.1246	-98.83	-402.72	-680.6746	144	29	22	16709	9	35	32
A-D	-14.7177	-6.0364	-101.253	-122.0071	60	4	10	5030	0	18	18
B-C	-2.9558	-2.4426	-94.9481	-100.3465	58	1	9	4634	0	16	18
B-D	-5.1383	1.3293	-44.45	-48.2589	34	5	0	1429	0	6	4
C-D	-177.2076	-70.1367	-409.685	-657.0293	147	27	19	16147	9	37	33
C-F	0.0	17.9136	-14.6488	3.2648	45	0	0	1023	0	33	33
D-E	0.0	-5.1202	-6.2545	-11.3747	18	0	0	343	0	9	8
E-H	-214.0102	-64.0674	-417.17	-695.2476	149	30	22	16906	7	35	33
F-G	-193.9805	-31.1217	-417.961	-643.0632	144	26	21	16434	6	35	32

Interface residues

• A-B: ALA131B, ALA148A, ALA148B, ALA171A, ALA171B, ALA214A, ALA214B, ALA219A, ALA219B, ALA222A, ALA222B, ALA225A, ALA225B, ALA227A, ALA227B, ALA253A, ALA253B, ALA25A, ALA25B, ALA260A, ALA260B, ALA27A, ALA27B, ALA38A, ALA38B, ARG132A, ARG132B, ARG167A, ARG167B, ARG228A, ARG228B, ARG236A, ARG236B, ARG26A, ARG26B, ARG37A, ARG37B, ASN168A, ASN168B, ASN256A, ASN256B, ASN271A, ASN271B, ASN32A, ASN32B, ASP170A, ASP170B, ASP232A, ASP232B, ASP237A, ASP237B, CYS146A, CYS146B, CYS230A, CYS230B, GLN36A, GLN36B, GLU221A, GLU221B, GLU255A, GLU255B, GLU259A, GLU259B, GLU270A, GLU270B, GLU40A, GLU40B, GLY130A, GLY130B, GLY216A, GLY216B, GLY223A, GLY223B, GLY29A, GLY29B, GLY30A, GLY30B, HIS229A, HIS229B, ILE133A, ILE133B, ILE226A, ILE226B, ILE257A, ILE257B, ILE258A, ILE258B, ILE35A, ILE35B, LEU165A, LEU165B, LEU250A, LEU250B, LEU263A, LEU263B, LEU264A, LEU264B, LEU267A, LEU267B, LEU51A, LEU51B, LYS33A, LYS33B, LYS43A, LYS43B, PHE217A, PHE217B, PHE28A, PHE28B, PRO166A, PRO166B, PRO169A, PRO169B, PRO218A, PRO218B, PRO252A, PRO252B, PRO31A, PRO31B, PRO50A, PRO50B, SER176A, SER176B, SER265A, SER265B, THR220A, THR220B, THR251A, THR251B, THR262B, TYR34A, TYR34B, TYR47A, TYR47B, VAL172A, VAL172B, VAL174A, VAL174B, VAL213A, VAL213B, VAL233A, VAL233B, VAL254A, VAL254B
• A-D: ALA238A, ALA241A, ALA244A, ALA247A, ALA253A, ALA315D, ALA371D, ALA375D, ALA378D, ALA381D, ARG236A, ARG312D, ARG314D, ARG322A, ARG373D, ARG384D, ASN256A, ASN311D, ASP237A, ASP313D, ASP374D, ASP380D, GLU246A, GLU255A, GLU310D, GLU316D, GLU318D, GLY248A, ILE243A, ILE257A, ILE317D, ILE346D, ILE376D, ILE386D, LEU249A, LEU250A, LEU307D, LEU309D, LEU377D, LEU379D, LYS240A, LYS242A, PHE323A, PHE382D, PRO252A, PRO343D, PRO370D, SER326A, SER383D, SER385D, THR235A, THR251A, THR366D, VAL233A, VAL239A, VAL245A, VAL254A, VAL327A, VAL365D, VAL372D
• B-C: ALA238C, ALA241C, ALA244C, ALA247C, ALA253C, ALA315B, ALA371B, ALA375B, ALA378B, ALA381B, ARG236C, ARG312B, ARG314B, ARG373B, ARG384B, ASN256C, ASN311B, ASP237C, ASP313B, ASP374B, ASP380B, GLU246C, GLU255C, GLU310B, GLU316B, GLU318B, GLY248C, ILE243C, ILE257C, ILE317B, ILE346B, ILE376B, ILE386B, LEU249C, LEU250C, LEU307B, LEU309B, LEU377B, LEU379B, LYS240C, LYS242C, PHE323C, PHE382B, PRO252C, PRO343B, PRO370B, SER326C, SER383B, SER385B, THR235C, THR251C, THR366B, VAL233C, VAL239C, VAL245C, VAL254C, VAL365B, VAL372B
• B-D: ALA25B, ALA25D, ALA362D, ARG208B, ARG208D, ARG26B, ARG26D, ASN311B, ASN311D, GLU206B, GLU206D, GLU221B, GLU221D, GLU310B, ILE205B, ILE205D, ILE367B, ILE367D, LEU309B, PRO218B, PRO218D, PRO364B, PRO364D, SER203B, SER207B, SER207D, THR363B, THR363D, THR366B, THR366D, TYR361B, TYR361D, VAL365B, VAL365D
• C-D: ALA131C, ALA131D, ALA148C, ALA148D, ALA171C, ALA171D, ALA214D, ALA219C, ALA219D, ALA222C, ALA222D, ALA225C, ALA225D, ALA227C, ALA227D, ALA253C, ALA253D, ALA25C, ALA25D, ALA260C, ALA260D, ALA27C, ALA27D, ALA38C, ALA38D, ARG132C, ARG132D, ARG167C, ARG167D, ARG208D, ARG228C, ARG228D, ARG236C, ARG236D, ARG26C, ARG26D, ARG37C, ARG37D, ASN168C, ASN168D, ASN256C, ASN256D, ASN271C, ASN271D, ASN32C, ASN32D, ASP108D, ASP170C, ASP170D, ASP232C, ASP232D, ASP237C, ASP237D, CYS146C, CYS146D, CYS230C, CYS230D, GLN36C, GLN36D, GLU221C, GLU221D, GLU255C, GLU255D, GLU259C, GLU259D, GLU270C, GLU270D, GLU40C, GLU40D, GLY130C, GLY130D, GLY215C, GLY215D, GLY216C, GLY216D, GLY223C, GLY223D, GLY268D, GLY29C, GLY29D, GLY30C, GLY30D, HIS229C, HIS229D, ILE133C, ILE133D, ILE226C, ILE226D, ILE257C, ILE257D, ILE258C, ILE258D, ILE35C, ILE35D, LEU165C, LEU250C, LEU250D, LEU263C, LEU263D, LEU264C, LEU264D, LEU267C, LEU267D, LEU51C, LEU51D, LYS33C, LYS33D, LYS43C, LYS43D, PHE217C, PHE217D, PHE28C, PHE28D, PRO166C, PRO166D, PRO169C, PRO169D, PRO218C, PRO218D, PRO252C, PRO252D, PRO31C, PRO31D, PRO50C, PRO50D, SER176C, SER176D, SER265C, SER265D, THR220C, THR220D, THR251C, THR251D, THR262D, TYR34C, TYR34D, TYR47C, TYR47D, VAL172C, VAL172D, VAL174C, VAL174D, VAL213D, VAL233C, VAL233D, VAL254C, VAL254D
• C-F: ALA181F, ALA182F, ALA184F, ALA334F, ALA344C, ARG185F, ARG348C, ARG61C, ARG61F, ARG85C, ARG85F, ARG97C, ASP340C, ASP340F, ASP341C, ASP60F, ASP65F, GLU288C, GLU288F, GLU289C, GLU289F, GLU89C, GLU94C, GLY292C, GLY292F, GLY337C, GLY337F, GLY87C, GLY88C, HIS156C, HIS291C, HIS291F, ILE338C, LEU63F, LYS345C, PHE186F, PHE294F, PHE86C, PRO183F, TYR293F, VAL339C, VAL339F, VAL342C, VAL62C, VAL62F
• D-E: ALA181E, ALA182E, ALA184E, ALA247E, ARG185E, ASP340D, ASP341D, GLU246E, GLU288D, GLU289D, LEU63E, LYS345D, PHE186E, PHE294E, PRO183E, VAL339D, VAL342D, VAL62E
• E-H: ALA131E, ALA131H, ALA148E, ALA148H, ALA171E, ALA171H, ALA214E, ALA214H, ALA219E, ALA219H, ALA222E, ALA222H, ALA225E, ALA225H, ALA227E, ALA227H, ALA253E, ALA253H, ALA25E, ALA25H, ALA260E, ALA260H, ALA27E, ALA27H, ALA38E, ALA38H, ARG132E, ARG132H, ARG167E, ARG167H, ARG228E, ARG228H, ARG236E, ARG236H, ARG26E, ARG26H, ARG37E, ARG37H, ASN168E, ASN168H, ASN211E, ASN211H, ASN256E, ASN256H, ASN271E, ASN271H, ASN32E, ASN32H, ASP170E, ASP170H, ASP232E, ASP232H, ASP237E, ASP237H, CYS146E, CYS146H, CYS230E, CYS230H, GLN36E, GLN36H, GLU221E, GLU221H, GLU255E, GLU255H, GLU259E, GLU259H, GLU270E, GLU270H, GLU40E, GLU40H, GLY130E, GLY130H, GLY215E, GLY216E, GLY223E, GLY223H, GLY268H, GLY29E, GLY29H, GLY30E, GLY30H, HIS229E, HIS229H, ILE133E, ILE133H, ILE226E, ILE226H, ILE257E, ILE257H, ILE258E, ILE258H, ILE35E, ILE35H, LEU165E, LEU165H, LEU250E, LEU250H, LEU263E, LEU263H, LEU264E, LEU264H, LEU267E, LEU267H, LEU51E, LEU51H, LYS33E, LYS33H, LYS43E, LYS43H, PHE217E, PHE217H, PHE28E, PHE28H, PRO166E, PRO166H, PRO169E, PRO169H, PRO218E, PRO218H, PRO252E, PRO252H, PRO31E, PRO31H, PRO50E, PRO50H, SER176E, SER176H, SER265E, SER265H, THR220E, THR220H, THR251E, THR251H, THR262E, TYR212H, TYR34E, TYR34H, TYR47E, TYR47H, VAL172E, VAL172H, VAL173E, VAL174E, VAL174H, VAL213H, VAL233E, VAL233H, VAL254E, VAL254H
• F-G: ALA148F, ALA148G, ALA171F, ALA171G, ALA214G, ALA219F, ALA219G, ALA222F, ALA222G, ALA225F, ALA225G, ALA227F, ALA227G, ALA253F, ALA253G, ALA25F, ALA25G, ALA260F, ALA260G, ALA27F, ALA27G, ALA38F, ALA38G, ARG132F, ARG132G, ARG164F, ARG167F, ARG167G, ARG228F, ARG228G, ARG236F, ARG236G, ARG26F, ARG26G, ARG37F, ARG37G, ASN168F, ASN168G, ASN211G, ASN256F, ASN256G, ASN271F, ASN271G, ASN32F, ASN32G, ASP170F, ASP170G, ASP232F, ASP232G, ASP237F, ASP237G, CYS146F, CYS146G, CYS230F, CYS230G, GLN36F, GLN36G, GLU221F, GLU221G, GLU255F, GLU255G, GLU259F, GLU259G, GLU270F, GLU270G, GLU40F, GLU40G, GLY130F, GLY215G, GLY216G, GLY223F, GLY223G, GLY268G, GLY29F, GLY29G, GLY30F, GLY30G, HIS229F, HIS229G, ILE133F, ILE133G, ILE226F, ILE226G, ILE257F, ILE257G, ILE258F, ILE258G, ILE35F, ILE35G, LEU165F, LEU165G, LEU250F, LEU250G, LEU263F, LEU263G, LEU264F, LEU264G, LEU267F, LEU267G, LEU51F, LEU51G, LYS33F, LYS33G, LYS43F, LYS43G, PHE217F, PHE217G, PHE28F, PHE28G, PRO166F, PRO166G, PRO169F, PRO169G, PRO218F, PRO218G, PRO252F, PRO252G, PRO31F, PRO31G, PRO50F, PRO50G, SER176F, SER176G, SER265F, SER265G, THR220F, THR220G, THR251F, THR251G, THR262G, TYR212G, TYR34F, TYR34G, TYR47F, TYR47G, VAL172F, VAL172G, VAL174F, VAL174G, VAL213G, VAL233F, VAL233G, VAL254F, VAL254G