1Z8H

crystal structure of a gdsl-like lipase (alr1529) from nostoc sp. pcc 7120 at 2.02 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 119
  • Norm. En. per Res.: -2.1471
• 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	-35.4653	48.7621	-268.803	-255.5062	119	14	2	11523	8	51	46
A-C	0.0	-6.3445	-30.0588	-36.4033	28	0	0	1216	0	16	17
A-D	0.0	-16.0142	-58.1082	-74.1224	48	3	0	3079	1	23	26
B-C	-21.7308	8.3372	-73.3275	-86.7212	46	7	0	3668	0	18	18
B-D	0.0	-7.4977	-30.3339	-37.8316	24	2	0	1285	1	15	16
C-D	-37.6777	65.5239	-269.463	-241.6168	123	14	2	11422	8	48	48

Interface residues

• A-B: ALA38A, ALA38B, ARG10A, ARG10B, ARG33A, ARG33B, ARG53A, ARG53B, ARG54A, ARG54B, ARG63A, ARG63B, ARG71A, ARG71B, ASN178A, ASN178B, ASN20A, ASN20B, ASN37A, ASN37B, ASN39A, ASN39B, ASN49A, ASN49B, ASP16A, ASP16B, ASP179A, ASP179B, ASP24A, ASP24B, ASP44A, ASP44B, ASP55A, ASP55B, ASP59A, ASP59B, CYS27A, CYS27B, CYS35A, CYS35B, GLN66A, GLN66B, GLN8A, GLN8B, GLU26A, GLU26B, GLU67A, GLU67B, GLU75B, GLY15A, GLY15B, GLY21A, GLY21B, GLY23A, GLY23B, GLY29A, GLY29B, GLY32A, GLY32B, GLY51A, GLY51B, HIS182A, HIS182B, HIS73B, ILE11A, ILE52A, ILE52B, ILE60A, ILE60B, ILE9A, ILE9B, LEU28A, LEU28B, LEU50A, LEU50B, LEU70A, LEU70B, LEU72A, LEU72B, LYS40A, LYS40B, LYS62A, LYS62B, LYS6A, LYS74B, PHE13A, PRO25A, PRO25B, SER17A, SER17B, SER69A, SER69B, THR22A, THR22B, THR31A, THR31B, THR46A, THR46B, TRP64A, TRP64B, TYR43A, TYR43B, TYR47A, TYR47B, TYR48A, TYR48B, TYR76A, VAL14A, VAL14B, VAL19A, VAL19B, VAL34A, VAL34B, VAL36A, VAL36B, VAL45A, VAL45B, VAL68A, VAL68B
• A-C: ALA61A, ARG10C, ARG53A, ARG54A, ARG63A, ARG97A, ASN106A, ASN77C, ASN93A, ASP55A, ASP59A, GLN66A, GLN8C, GLU75C, HIS73C, ILE52A, ILE60A, LEU117C, LYS116C, LYS62A, LYS74C, LYS95A, PRO119C, SER57A, SER58A, THR56A, TYR76C, VAL98A
• A-D: ARG136A, ARG136D, ARG139A, ARG139D, ARG53D, ARG54A, ARG54D, ARG97A, ARG97D, ASN87D, ASN93A, ASN93D, ASP133A, ASP133D, ASP179A, ASP179D, GLN131A, GLN131D, GLN132A, GLN132D, GLU130A, GLU130D, GLU92A, GLU92D, GLY135A, GLY135D, GLY180A, GLY180D, GLY94A, GLY94D, HIS182A, HIS182D, ILE129A, LEU86D, LEU91A, LEU91D, LYS95A, LYS95D, PHE18D, PRO134A, PRO134D, SER17D, THR90A, THR90D, TYR128A, TYR128D, VAL181A, VAL181D
• B-C: ALA61B, ALA61C, ARG10B, ARG10C, ARG63B, ARG71B, ARG71C, GLN113B, GLN113C, GLN66B, GLN66C, GLU109B, GLU109C, GLU67B, GLU67C, GLU75B, GLU75C, HIS73B, HIS73C, LEU117B, LEU117C, LEU65B, LEU65C, LEU70B, LEU70C, LEU72B, LEU72C, LYS115B, LYS116B, LYS116C, LYS62B, LYS62C, LYS74B, LYS74C, SER69B, SER69C, TRP64B, TRP64C, TYR118B, TYR118C, TYR48B, TYR48C, TYR76B, TYR76C, VAL68B, VAL68C
• B-D: ALA61D, ARG53D, ARG54D, ARG63D, ARG97D, ASN106D, ASN77B, ASP55D, ASP59D, GLN66D, GLU75B, HIS73B, ILE52D, ILE60D, LEU117B, LYS116B, LYS62D, LYS74B, SER57D, SER58D, SER78B, THR56D, TYR76B, VAL98D
• C-D: ALA38C, ALA38D, ARG10C, ARG10D, ARG33C, ARG33D, ARG53C, ARG53D, ARG54C, ARG54D, ARG63C, ARG63D, ARG71C, ARG71D, ASN178C, ASN178D, ASN20C, ASN20D, ASN37C, ASN37D, ASN39C, ASN39D, ASN49C, ASN49D, ASN77C, ASP16C, ASP16D, ASP179C, ASP179D, ASP24C, ASP24D, ASP44C, ASP44D, ASP55C, ASP55D, ASP59C, ASP59D, CYS12C, CYS27C, CYS27D, CYS35C, CYS35D, GLN184D, GLN66C, GLN66D, GLN8C, GLN8D, GLU26C, GLU26D, GLU67C, GLU67D, GLU75C, GLY15C, GLY15D, GLY21C, GLY21D, GLY23C, GLY23D, GLY29C, GLY29D, GLY32C, GLY32D, GLY51C, GLY51D, HIS182C, HIS182D, HIS73D, ILE11C, ILE11D, ILE52C, ILE52D, ILE60C, ILE60D, ILE9C, ILE9D, LEU28C, LEU28D, LEU50C, LEU50D, LEU70C, LEU70D, LEU72C, LEU72D, LYS40C, LYS40D, LYS62C, LYS62D, LYS6C, PHE13C, PHE13D, PRO25C, PRO25D, SER17C, SER17D, SER69C, SER69D, THR22C, THR22D, THR31C, THR31D, THR46C, THR46D, TRP64C, TRP64D, TYR43C, TYR43D, TYR47C, TYR47D, TYR48C, TYR48D, TYR76D, VAL14C, VAL14D, VAL19C, VAL19D, VAL34C, VAL34D, VAL36C, VAL36D, VAL45C, VAL45D, VAL68C, VAL68D