1PN4

crystal structure of 2-enoyl-coa hydratase 2 domain of candida tropicalis multifunctional enzyme type 2 complexed with (3r)-hydroxydecanoyl-coa.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 111
  • Norm. En. per Res.: -4.8241
• 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	-57.0915	-198.0944	-280.284	-535.4699	111	10	13	12379	21	42	26
A-C	-4.8429	-43.1213	-80.1775	-128.1417	52	2	0	3220	0	30	13
B-C	0.0	0.0	-0.5191	-0.5191	11	0	0	108	0	3	4
B-D	-18.3581	-3.6915	-81.4575	-103.5071	53	1	0	3450	2	15	12
C-D	-52.3046	-190.0418	-274.071	-516.4174	111	6	12	12417	21	42	26

Interface residues

• A-B: ALA174A, ALA174B, ALA175A, ALA175B, ALA20A, ALA20B, ALA23A, ALA23B, ARG12A, ARG12B, ARG178A, ARG178B, ARG183A, ARG183B, ARG8A, ARG8B, ASN184A, ASN184B, ASN18A, ASN18B, ASN191A, ASN191B, ASN34A, ASN34B, ASN51A, ASN51B, ASP10A, ASP10B, ASP11A, ASP11B, ASP13A, ASP13B, ASP172A, ASP172B, ASP182A, ASP189A, ASP189B, ASP35A, ASP35B, GLN187A, GLN187B, GLN27A, GLN27B, GLU171A, GLU171B, GLU33A, GLU33B, GLY181A, GLY181B, GLY22A, GLY22B, ILE15A, ILE15B, ILE188A, ILE188B, ILE19A, ILE19B, LEU16A, LEU16B, LEU173A, LEU173B, LEU176A, LEU176B, LEU179A, LEU179B, LEU186A, LEU186B, LEU28A, LEU28B, LEU47A, LEU47B, LYS26A, LYS26B, PHE192A, PHE192B, PHE38A, PHE38B, PHE44A, PHE44B, PHE9A, PHE9B, PRO185A, PRO185B, PRO190A, PRO190B, PRO201A, PRO201B, PRO236A, PRO236B, SER170A, SER170B, SER180A, SER180B, THR24A, THR24B, THR25A, THR25B, TRP7A, TRP7B, TYR177A, TYR177B, TYR17A, TYR17B, TYR30A, TYR30B, TYR32A, TYR32B, VAL14A, VAL14B, VAL31A, VAL31B
• A-C: ALA193C, ALA196C, ARG134C, ARG261C, ASN135C, ASN34A, ASP10A, ASP117A, ASP11A, ASP260C, ASP276A, ASP35A, ASP37A, GLN39A, GLU122A, GLU238C, GLU33A, GLU88A, GLU90A, GLY121A, GLY195C, GLY262C, GLY89A, HIS257C, ILE15A, ILE202C, ILE233C, ILE264C, LEU123A, LYS119A, LYS194C, LYS197C, LYS200C, LYS29A, PHE198C, PHE235C, PHE38A, PHE9A, PRO190C, PRO199C, PRO201C, PRO236C, PRO86A, SER120A, SER36A, SER82A, THR263C, THR87A, TRP83A, TYR32A, VAL234C, VAL258C
• B-C: ARG178B, ARG183B, ASN191B, ASN191C, ASN57B, ASP189B, GLU171C, LYS194C, LYS200C, LYS54B, PRO185B
• B-D: ALA138B, ALA215D, ARG134B, ARG64B, ASN106B, ASN135B, ASN140B, ASN191B, ASN65B, ASN67B, ASP139B, ASP162D, ASP166D, ASP218D, ASP276D, ASP37D, CYS136B, GLN137B, GLN164D, GLN27D, GLN39D, GLY104B, GLY195B, GLY221D, GLY275D, ILE217D, ILE252D, LEU216D, LEU273D, LEU28D, LEU70B, LYS103B, LYS141B, LYS194B, LYS197B, LYS214D, LYS219D, LYS246D, LYS26D, LYS29D, MET222D, MET69B, PHE192B, PHE220D, PHE66B, PRO102B, PRO68B, THR105B, TRP83D, TYR163D, TYR30D, VAL165D, VAL274D
• C-D: ALA174C, ALA174D, ALA175C, ALA175D, ALA20C, ALA20D, ALA23C, ALA23D, ARG12C, ARG12D, ARG178C, ARG178D, ARG183C, ARG183D, ARG8C, ARG8D, ASN184C, ASN184D, ASN18C, ASN18D, ASN191C, ASN191D, ASN34C, ASN34D, ASN51C, ASN51D, ASP10C, ASP10D, ASP11C, ASP11D, ASP13C, ASP13D, ASP172C, ASP172D, ASP182D, ASP189C, ASP189D, ASP35C, ASP35D, GLN187C, GLN187D, GLN27C, GLN27D, GLU171C, GLU171D, GLU33C, GLU33D, GLY181C, GLY181D, GLY22C, GLY22D, ILE15C, ILE15D, ILE188C, ILE188D, ILE19C, ILE19D, LEU16C, LEU16D, LEU173C, LEU173D, LEU176C, LEU176D, LEU179C, LEU179D, LEU186C, LEU186D, LEU28C, LEU28D, LEU47C, LEU47D, LYS26C, LYS26D, PHE192C, PHE192D, PHE38C, PHE38D, PHE44C, PHE44D, PHE9C, PHE9D, PRO185C, PRO185D, PRO190C, PRO190D, PRO201C, PRO201D, PRO236C, PRO236D, SER170C, SER170D, SER180C, SER180D, THR24C, THR24D, THR25C, THR25D, TRP7C, TRP7D, TYR177C, TYR177D, TYR17C, TYR17D, TYR30C, TYR30D, TYR32C, TYR32D, VAL14C, VAL14D, VAL31C, VAL31D