3CMB

crystal structure of acetoacetate decarboxylase (yp_001047042.1) from methanoculleus marisnigri jr1 at 1.60 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 256
  • Norm. En. per Res.: -4.3503
• 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	-37.6977	-57.766	-110.207	-205.6708	50	9	0	4159	4	26	29
A-C	-18.9199	18.3205	-87.1499	-87.7494	58	6	0	3359	0	4	10
A-D	-106.5541	-118.9439	-778.207	-1003.705	245	15	26	30539	8	44	37
B-C	-117.3479	-146.649	-849.678	-1113.6749	256	21	26	32915	11	45	40
B-D	-22.4889	18.5302	-88.9437	-92.9024	58	5	0	3301	0	4	10
C-D	-34.588	-54.9537	-111.046	-200.5877	49	5	0	4054	4	26	28

Interface residues

• A-B: ALA139A, ALA139B, ARG135A, ARG135B, ASN71A, ASN71B, ASN79A, ASN79B, ASP130A, ASP130B, GLN77A, GLN77B, GLU129A, GLU129B, GLU69A, GLU69B, GLY75A, GLY75B, GLY76A, GLY76B, HIS132A, HIS132B, HIS137A, HIS137B, HIS74A, HIS74B, ILE133A, ILE133B, ILE70A, ILE70B, LEU131A, LEU131B, LEU73A, LEU73B, LYS108A, LYS108B, LYS30A, LYS30B, LYS66A, LYS66B, PHE138A, PHE138B, PHE64A, PHE64B, THR68A, THR68B, TRP72A, TRP72B, VAL134A, VAL134B
• A-C: ALA139A, ALA139C, ASN147A, ASN147C, ASN151A, ASN151C, ASP127A, ASP127C, ASP130A, ASP130C, ASP153A, ASP153C, GLN224A, GLN224C, GLU129A, GLU129C, GLU145A, GLU145C, GLU219A, GLU219C, GLY146A, GLY146C, HIS132A, HIS132C, ILE128A, ILE128C, LEU150A, LEU150C, LEU220A, LEU220C, LYS216A, LYS216C, PHE149A, PHE149C, PRO222A, PRO222C, PRO226A, PRO226C, SER143A, SER143C, SER225A, SER225C, THR140A, THR140C, THR141A, THR141C, THR148A, THR148C, THR218A, THR218C, THR221A, THR221C, TYR144A, TYR144C, VAL134A, VAL134C, VAL142A, VAL142C
• A-D: ALA110A, ALA110D, ALA126A, ALA126D, ALA188A, ALA188D, ALA191A, ALA191D, ALA227A, ALA227D, ALA236A, ALA236D, ALA257A, ALA257D, ALA260A, ALA260D, ALA84A, ALA84D, ARG116A, ARG116D, ARG181A, ARG181D, ARG261A, ARG261D, ARG3A, ARG3D, ARG42A, ARG42D, ASN107A, ASN107D, ASN233A, ASN233D, ASN47A, ASN47D, ASN71A, ASN71D, ASP22A, ASP22D, ASP43D, ASP6A, ASP6D, ASP7A, ASP7D, GLN118A, GLN118D, GLN195A, GLN195D, GLN224A, GLN224D, GLN228A, GLN228D, GLN5A, GLN5D, GLN77A, GLN77D, GLU106A, GLU106D, GLU117A, GLU117D, GLU145A, GLU145D, GLU192A, GLU192D, GLU46A, GLU46D, GLU51A, GLU51D, GLU54A, GLY0A, GLY0D, GLY114A, GLY114D, GLY120A, GLY120D, GLY179A, GLY179D, GLY17A, GLY17D, GLY187A, GLY187D, GLY18A, GLY18D, GLY190A, GLY190D, GLY19A, GLY19D, GLY259A, GLY259D, GLY52A, GLY52D, GLY75A, GLY75D, GLY76A, GLY76D, HIS15A, HIS15D, HIS74A, HIS74D, HIS90A, ILE112A, ILE112D, ILE121A, ILE121D, ILE124A, ILE124D, ILE183A, ILE183D, ILE231A, ILE231D, ILE263A, ILE263D, ILE49A, ILE49D, ILE70A, ILE70D, LEU102A, LEU102D, LEU113A, LEU113D, LEU11A, LEU11D, LEU178A, LEU178D, LEU193A, LEU193D, LEU198A, LEU198D, LEU235A, LEU235D, LEU238A, LEU238D, LEU44A, LEU44D, LEU45A, LEU45D, LEU55A, LEU73A, LEU73D, LYS108A, LYS108D, LYS123A, LYS123D, LYS185A, LYS185D, LYS20A, LYS20D, PHE16A, PHE16D, PHE196A, PHE196D, PHE21A, PHE21D, PHE2A, PHE2D, PHE53A, PHE53D, PHE8A, PHE8D, PRO111A, PRO111D, PRO122A, PRO122D, PRO13A, PRO13D, PRO184A, PRO184D, PRO189A, PRO189D, PRO200A, PRO200D, PRO222A, PRO222D, PRO226A, PRO226D, PRO23A, PRO23D, PRO4A, PRO4D, PRO50A, PRO50D, SER194A, SER194D, SER225A, SER225D, SER234A, SER234D, SER237A, SER237D, THR101A, THR101D, THR109A, THR109D, THR119A, THR119D, THR221A, THR221D, THR25A, THR25D, THR9A, THR9D, TRP105A, TRP105D, TRP180A, TRP180D, TRP72A, TRP72D, TYR100A, TYR100D, TYR10A, TYR10D, TYR125A, TYR125D, TYR144A, TYR144D, TYR182A, TYR182D, TYR199A, TYR199D, TYR229A, TYR229D, TYR230A, TYR230D, TYR48A, TYR48D, TYR78A, TYR78D, VAL103A, VAL103D, VAL104A, VAL104D, VAL14A, VAL14D, VAL186A, VAL186D, VAL197A, VAL197D, VAL232A, VAL232D, VAL262A, VAL262D, VAL60A, VAL60D, VAL83A, VAL83D, VAL87A
• B-C: ALA110B, ALA110C, ALA126B, ALA126C, ALA188B, ALA188C, ALA191B, ALA191C, ALA227B, ALA227C, ALA236C, ALA257B, ALA257C, ALA260B, ALA260C, ALA84B, ALA84C, ARG116B, ARG116C, ARG181B, ARG181C, ARG261B, ARG261C, ARG3B, ARG3C, ARG42B, ARG42C, ARG88B, ARG88C, ASN107B, ASN107C, ASN233B, ASN233C, ASN47B, ASN47C, ASN71B, ASN71C, ASP127B, ASP22B, ASP22C, ASP6B, ASP6C, ASP7B, ASP7C, GLN-1B, GLN-1C, GLN118B, GLN118C, GLN195B, GLN195C, GLN224B, GLN224C, GLN228B, GLN228C, GLN5B, GLN5C, GLN77B, GLN77C, GLU106B, GLU106C, GLU117B, GLU117C, GLU145B, GLU145C, GLU192B, GLU192C, GLU46B, GLU46C, GLU51B, GLU51C, GLU54B, GLU54C, GLY0B, GLY0C, GLY114B, GLY114C, GLY120B, GLY120C, GLY179B, GLY179C, GLY17B, GLY17C, GLY187B, GLY187C, GLY18B, GLY18C, GLY190B, GLY190C, GLY19B, GLY19C, GLY259B, GLY259C, GLY52B, GLY52C, GLY75B, GLY75C, GLY76B, GLY76C, HIS15B, HIS15C, HIS74B, HIS74C, HIS90B, HIS90C, ILE112B, ILE112C, ILE121B, ILE121C, ILE124B, ILE124C, ILE183B, ILE183C, ILE231B, ILE231C, ILE263B, ILE263C, ILE49B, ILE49C, ILE70B, ILE70C, LEU102B, LEU102C, LEU113B, LEU113C, LEU11B, LEU11C, LEU178B, LEU178C, LEU193B, LEU193C, LEU198B, LEU198C, LEU235B, LEU235C, LEU238B, LEU238C, LEU44B, LEU44C, LEU45B, LEU45C, LEU55B, LEU55C, LEU56B, LEU56C, LEU73B, LEU73C, LYS108B, LYS108C, LYS123B, LYS123C, LYS185B, LYS185C, LYS20B, LYS20C, PHE16B, PHE16C, PHE196B, PHE196C, PHE21B, PHE21C, PHE2B, PHE2C, PHE53B, PHE53C, PHE89B, PHE89C, PHE8B, PHE8C, PRO111B, PRO111C, PRO122B, PRO122C, PRO13B, PRO13C, PRO184B, PRO184C, PRO189B, PRO189C, PRO200B, PRO200C, PRO222B, PRO222C, PRO226B, PRO226C, PRO23B, PRO23C, PRO4B, PRO4C, PRO50B, PRO50C, SER194B, SER194C, SER225B, SER225C, SER234B, SER234C, SER237B, SER237C, THR101B, THR101C, THR109B, THR109C, THR119B, THR119C, THR221B, THR221C, THR25B, THR25C, THR9B, THR9C, TRP105B, TRP105C, TRP180B, TRP180C, TRP72B, TRP72C, TYR100B, TYR100C, TYR10B, TYR10C, TYR125B, TYR125C, TYR144B, TYR144C, TYR182B, TYR182C, TYR199B, TYR199C, TYR229B, TYR229C, TYR230B, TYR230C, TYR48B, TYR48C, TYR78B, TYR78C, VAL103B, VAL103C, VAL104B, VAL104C, VAL14B, VAL14C, VAL186B, VAL186C, VAL197B, VAL197C, VAL232B, VAL232C, VAL262B, VAL262C, VAL60B, VAL60C, VAL83B, VAL83C, VAL87B, VAL87C
• B-D: ALA139B, ALA139D, ASN147B, ASN147D, ASN151B, ASN151D, ASP127B, ASP127D, ASP130B, ASP130D, ASP153B, ASP153D, GLN224B, GLN224D, GLU129B, GLU129D, GLU145B, GLU145D, GLU219B, GLU219D, GLY146B, GLY146D, HIS132B, HIS132D, ILE128B, ILE128D, LEU150B, LEU150D, LEU220B, LEU220D, LYS216B, LYS216D, PHE149B, PHE149D, PRO222B, PRO222D, PRO226B, PRO226D, SER143B, SER143D, SER225B, SER225D, THR140B, THR140D, THR141B, THR141D, THR148B, THR148D, THR218B, THR218D, THR221B, THR221D, TYR144B, TYR144D, VAL134B, VAL134D, VAL142B, VAL142D
• C-D: ALA139C, ALA139D, ARG135C, ARG135D, ASN71C, ASN71D, ASN79D, ASP130C, ASP130D, GLN77C, GLN77D, GLU129C, GLU129D, GLU250C, GLU69C, GLU69D, GLY75C, GLY75D, GLY76C, GLY76D, HIS132C, HIS132D, HIS137C, HIS137D, HIS74C, HIS74D, ILE133C, ILE133D, ILE70C, ILE70D, LEU131C, LEU131D, LEU73C, LEU73D, LYS108C, LYS108D, LYS30C, LYS30D, LYS66C, LYS66D, PHE138C, PHE138D, PHE64D, THR68C, THR68D, TRP72C, TRP72D, VAL134C, VAL134D