3O1K

crystal structure of putative dihydroneopterin aldolase (folb) from vibrio cholerae o1 biovar el tor str. n16961

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 95
  • Norm. En. per Res.: -5.4144
• 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-C	-123.1034	-79.4175	-311.844	-514.3649	95	25	14	12093	8	41	40
A-D	-102.5102	-46.8554	-333.292	-482.6576	98	18	15	12010	6	41	37
B-C	-113.0882	-52.2383	-330.629	-495.9554	99	12	16	12407	7	40	40
B-D	-106.4317	-70.9608	-360.648	-538.0405	102	30	16	13053	8	42	40

Interface residues

• A-C: ALA113A, ALA117A, ALA47C, ALA52C, ALA53C, ALA60C, ALA62C, ALA66C, ALA88A, ARG105A, ARG105C, ARG107A, ARG126A, ARG128A, ARG51C, ARG80A, ARG86A, ASN50C, ASP14C, ASP43A, ASP43C, ASP49C, ASP57C, ASP58C, ASP61C, ASP64C, GLN116A, GLN20A, GLN20C, GLN34A, GLN67C, GLN70C, GLU125A, GLU19C, GLU22C, GLU33A, GLU45C, GLU77C, GLU85A, GLU89A, GLU90A, GLU93A, GLY112A, GLY119A, GLY121A, GLY28A, GLY54C, HIS48C, ILE106A, ILE123A, ILE124A, ILE18C, ILE24C, ILE27A, LEU108A, LEU21C, LEU40A, LEU42A, LEU42C, LEU44C, LEU63C, LEU73C, LEU82A, LEU83A, LYS110A, LYS118A, LYS15C, LYS55C, MET13A, MET13C, MET46C, PHE17C, PHE81A, PRO111A, PRO115A, SER12C, SER56C, SER69C, THR109A, TRP103A, TRP103C, TYR30A, TYR65C, VAL114A, VAL120A, VAL122A, VAL16C, VAL23C, VAL29A, VAL41A, VAL41C, VAL59C, VAL68C, VAL84A, VAL87A
• A-D: ALA113D, ALA117D, ALA127D, ALA47A, ALA52A, ALA53A, ALA60A, ALA62A, ALA66A, ALA88D, ALA92D, ARG105A, ARG105D, ARG107D, ARG126D, ARG128D, ARG51A, ARG80D, ARG86D, ASN50A, ASP14A, ASP43A, ASP43D, ASP49A, ASP57A, ASP58A, ASP61A, ASP64A, GLN116D, GLN20A, GLN34D, GLN38D, GLN67A, GLN70A, GLU125D, GLU19A, GLU22A, GLU33D, GLU45A, GLU74A, GLU77A, GLU85D, GLU89D, GLU90D, GLU93D, GLY112D, GLY119D, GLY121D, GLY28D, GLY54A, HIS48A, ILE106D, ILE123D, ILE124D, ILE18A, ILE24A, ILE27D, LEU108D, LEU21A, LEU42A, LEU42D, LEU44A, LEU63A, LEU73A, LEU82D, LEU83D, LYS110D, LYS118D, LYS15A, LYS55A, MET13A, MET46A, MET96D, PHE17A, PHE81D, PRO111D, PRO115D, SER12A, SER56A, SER69A, THR109D, TRP103A, TRP103D, TYR30D, TYR65A, VAL114D, VAL120D, VAL122D, VAL16A, VAL23A, VAL29D, VAL41A, VAL41D, VAL59A, VAL68A, VAL84D, VAL87D, VAL91D
• B-C: ALA113C, ALA117C, ALA127C, ALA47B, ALA52B, ALA53B, ALA60B, ALA62B, ALA66B, ALA88C, ALA92C, ARG105B, ARG105C, ARG107C, ARG126C, ARG128C, ARG51B, ARG80C, ARG86C, ASN50B, ASP14B, ASP43B, ASP43C, ASP49B, ASP57B, ASP58B, ASP61B, ASP64B, GLN116C, GLN20B, GLN34C, GLN38C, GLN67B, GLN70B, GLU125C, GLU19B, GLU22B, GLU33C, GLU45B, GLU77B, GLU85C, GLU89C, GLU90C, GLY112C, GLY119C, GLY121C, GLY28C, GLY54B, HIS48B, ILE106C, ILE123C, ILE124C, ILE18B, ILE24B, ILE27C, LEU104C, LEU108C, LEU11B, LEU21B, LEU42B, LEU44B, LEU63B, LEU73B, LEU82C, LEU83C, LYS110C, LYS118C, LYS15B, LYS55B, MET13B, MET13C, MET46B, MET96C, PHE17B, PHE81C, PRO102C, PRO111C, PRO115C, SER12B, SER56B, SER69B, THR109C, TRP103B, TRP103C, TYR30C, TYR65B, VAL114C, VAL120C, VAL122C, VAL16B, VAL23B, VAL29C, VAL41B, VAL41C, VAL59B, VAL68B, VAL84C, VAL87C, VAL91C
• B-D: ALA113B, ALA117B, ALA127B, ALA47D, ALA52D, ALA53D, ALA60D, ALA62D, ALA66D, ALA88B, ALA92B, ARG105B, ARG105D, ARG107B, ARG126B, ARG128B, ARG51D, ARG80B, ARG86B, ASN50D, ASP14D, ASP43B, ASP43D, ASP49D, ASP57D, ASP58D, ASP61D, ASP64D, GLN116B, GLN20D, GLN34B, GLN38B, GLN67D, GLN70D, GLU125B, GLU19D, GLU22D, GLU33B, GLU45D, GLU74D, GLU77D, GLU85B, GLU89B, GLU90B, GLU93B, GLY112B, GLY119B, GLY121B, GLY28B, GLY54D, HIS48D, ILE106B, ILE123B, ILE124B, ILE18D, ILE24D, ILE27B, LEU104B, LEU108B, LEU11D, LEU21D, LEU40B, LEU42B, LEU42D, LEU44D, LEU63D, LEU73D, LEU82B, LEU83B, LYS110B, LYS118B, LYS118D, LYS15D, LYS55D, MET13D, MET46D, MET96B, PHE17D, PHE81B, PRO102B, PRO111B, PRO115B, SER12D, SER56D, SER69D, THR109B, TRP103B, TRP103D, TYR30B, TYR65D, VAL114B, VAL120B, VAL122B, VAL16D, VAL23D, VAL29B, VAL41B, VAL41D, VAL59D, VAL68D, VAL84B, VAL87B