3CE9

crystal structure of glycerol dehydrogenase (np_348253.1) from clostridium acetobutylicum at 2.37 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 94
  • Norm. En. per Res.: -2.9374
• 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	-71.6913	-44.4405	-159.986	-276.1178	94	6	7	7395	10	37	34
A-C	0.0	0.0	-0.1161	-0.1161	6	0	0	46	0	0	4
A-D	-9.9813	11.6951	-182.297	-180.5833	124	1	5	8456	0	33	52
B-C	-12.7816	11.1258	-142.602	-144.2578	116	0	4	7374	0	31	50
B-D	0.0	0.0	-0.0718	-0.0718	5	0	0	35	0	0	4
C-D	-62.1532	-30.2648	-146.741	-239.159	91	5	6	6750	8	38	34

Interface residues

• A-B: ALA197A, ALA197B, ALA235A, ALA235B, ALA9A, ALA9B, ARG210A, ARG210B, ARG287A, ASN206A, ASN206B, ASN232A, ASN232B, ASN32A, ASP194A, ASP194B, ASP195A, ASP195B, ASP212A, ASP212B, ASP227A, ASP227B, GLN26A, GLU15A, GLU15B, GLU186A, GLU186B, GLU187B, GLU224A, GLU224B, GLY149A, GLY149B, HIS189A, ILE10A, ILE10B, ILE13A, ILE13B, ILE150A, ILE150B, ILE192A, ILE192B, ILE193A, ILE193B, ILE200A, ILE200B, ILE234A, ILE234B, ILE238A, ILE238B, ILE27A, ILE27B, ILE8A, ILE8B, LEU12A, LEU12B, LEU14A, LEU14B, LEU225A, LYS202A, LYS202B, LYS203A, LYS203B, LYS223A, LYS223B, LYS29B, LYS30A, LYS30B, PHE196A, PHE196B, PHE208A, PHE208B, PHE221A, PRO11A, PRO11B, SER191B, SER204A, SER204B, SER207A, SER207B, SER228A, SER228B, THR211A, THR211B, THR230A, THR230B, VAL151A, VAL16A, VAL198A, VAL198B, VAL205A, VAL209A, VAL220A, VAL220B, VAL226A
• A-C: ARG7A, ARG7C, HIS6A, HIS6C, ILE8A, ILE8C
• A-D: ALA107A, ALA107D, ALA131A, ALA144A, ALA144D, ALA239A, ALA324A, ALA324D, ALA81A, ALA81D, ALA86A, ALA86D, ALA9A, ALA9D, ARG110A, ARG110D, ARG325A, ARG325D, ARG35A, ARG35D, ARG7A, ARG7D, ASN136A, ASN136D, ASN241A, ASN241D, ASN32A, ASP148A, ASP148D, ASP75A, ASP75D, ASP89A, ASP89D, GLU237A, GLU237D, GLU76A, GLU76D, GLU87A, GLU87D, GLY240A, GLY240D, GLY31A, GLY31D, GLY78A, GLY78D, HIS189A, HIS319A, HIS319D, HIS330A, HIS6A, HIS6D, ILE10A, ILE10D, ILE135A, ILE135D, ILE321A, ILE321D, ILE77A, ILE77D, ILE8A, ILE8D, LEU109A, LEU109D, LEU112A, LEU112D, LEU12A, LEU12D, LEU133A, LEU133D, LEU320A, LEU320D, LYS111A, LYS111D, LYS145A, LYS145D, LYS190A, LYS190D, LYS30A, LYS30D, LYS322A, LYS322D, LYS34A, LYS34D, LYS83A, LYS83D, PHE108A, PHE108D, PHE33A, PHE33D, PHE74A, PHE74D, PHE82A, PHE82D, PRO113A, PRO113D, PRO11A, PRO11D, PRO129A, PRO129D, PRO143A, PRO143D, PRO323A, PRO323D, PRO85A, PRO85D, SER141A, SER141D, SER191A, SER242A, SER5A, SER5D, THR140A, THR140D, THR146A, THR79A, THR79D, TYR105A, TYR105D, VAL130A, VAL130D, VAL142A, VAL142D, VAL88A, VAL88D
• B-C: ALA107B, ALA107C, ALA144B, ALA144C, ALA324B, ALA324C, ALA81B, ALA81C, ALA86B, ALA86C, ALA9B, ALA9C, ARG110B, ARG110C, ARG325B, ARG325C, ARG35B, ARG35C, ARG7B, ARG7C, ASN136B, ASN136C, ASN241B, ASN241C, ASN32B, ASN32C, ASP148B, ASP148C, ASP75B, ASP75C, ASP89B, ASP89C, GLU237B, GLU237C, GLU87B, GLU87C, GLY240B, GLY240C, GLY31B, GLY31C, GLY78B, GLY78C, HIS319B, HIS319C, HIS6B, HIS6C, ILE10B, ILE10C, ILE135B, ILE135C, ILE192C, ILE321B, ILE321C, ILE77B, ILE77C, ILE8B, ILE8C, LEU109B, LEU109C, LEU112B, LEU112C, LEU12B, LEU12C, LEU133B, LEU133C, LEU320B, LEU320C, LYS111B, LYS111C, LYS145B, LYS145C, LYS190B, LYS190C, LYS30C, LYS322B, LYS322C, LYS34B, LYS34C, LYS83B, LYS83C, PHE108B, PHE108C, PHE33C, PHE74B, PHE74C, PHE82B, PHE82C, PRO113B, PRO113C, PRO11B, PRO11C, PRO129B, PRO129C, PRO143B, PRO143C, PRO323B, PRO323C, PRO85B, PRO85C, SER141B, SER141C, SER242C, SER5B, SER5C, THR140B, THR140C, THR79B, THR79C, TYR105B, TYR105C, VAL130B, VAL130C, VAL142B, VAL142C, VAL88B, VAL88C
• B-D: ARG7B, ARG7D, HIS6D, ILE8B, ILE8D
• C-D: ALA197C, ALA197D, ALA235C, ALA235D, ALA9C, ALA9D, ARG210C, ARG210D, ASN206C, ASN206D, ASN32C, ASN32D, ASP148C, ASP194C, ASP194D, ASP195C, ASP195D, ASP212C, ASP227C, ASP227D, GLN26C, GLU15C, GLU15D, GLU186C, GLU186D, GLU224C, GLU224D, GLY149C, GLY149D, HIS189D, ILE10C, ILE10D, ILE13C, ILE13D, ILE150C, ILE150D, ILE192C, ILE192D, ILE193C, ILE193D, ILE200C, ILE200D, ILE234C, ILE234D, ILE238C, ILE238D, ILE27C, ILE27D, ILE8C, ILE8D, LEU12C, LEU12D, LEU14C, LEU14D, LEU225D, LYS183C, LYS183D, LYS202C, LYS202D, LYS203C, LYS203D, LYS223C, LYS223D, LYS30C, LYS30D, PHE196C, PHE196D, PHE208C, PHE208D, PHE221C, PRO11C, PRO11D, SER204C, SER204D, SER207C, SER207D, SER228C, SER228D, THR211C, THR211D, THR230C, THR230D, VAL151D, VAL16D, VAL198C, VAL198D, VAL205D, VAL209C, VAL220C, VAL220D, VAL226D