2GLV

crystal structure of (3r)-hydroxyacyl-acyl carrier protein dehydratase(fabz) mutant(y100a) from helicobacter pylori

• Total interactions analyzed: 66
• Total true interactions: 26
• Strongest Interaction:
  • Chains: G-L
  • Int. Res.: 93
  • Norm. En. per Res.: -5.2736
• Hub Node: A(5)

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	-76.575	11.9793	-367.686	-432.2817	114	17	12	14872	0	25	35
A-C	0.0	10.9951	-0.135	10.8601	8	0	0	31	0	2	5
A-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
A-E	0.0	10.2231	-0.105	10.1181	14	0	0	43	0	2	5
A-F	-59.3253	-54.3788	-362.486	-476.1902	95	20	8	13671	5	32	24
B-C	-60.8521	-46.8506	-368.64	-476.3427	95	14	7	13832	4	32	24
B-D	0.0	14.4381	-0.748	13.69	14	0	0	104	0	2	6
B-F	0.0	8.6847	-0.1774	8.5074	9	0	0	43	0	0	3
C-D	-95.2756	0.9561	-426.628	-520.9476	124	27	12	17789	1	27	38
C-E	0.0	10.5729	-0.1747	10.3981	12	0	0	42	0	2	5
D-E	-56.9689	-56.3007	-374.474	-487.7436	96	9	8	13727	3	32	25
D-F	0.0	9.1969	-0.2537	8.9432	14	0	0	58	0	2	5
E-F	-79.4946	15.3519	-406.142	-470.2846	123	26	14	16987	0	27	38
F-K	0.0	9.4608	-29.5886	-20.1278	26	2	0	1306	0	10	13
G-H	-87.1482	24.4111	-367.879	-430.616	118	30	12	15452	0	25	36
G-I	0.0	7.1748	-0.1937	6.9811	12	0	0	52	0	1	6
G-K	0.0	7.9379	-0.2588	7.6791	14	0	0	50	0	2	6
G-L	-49.8373	-56.662	-383.941	-490.4403	93	11	8	14027	5	32	26
H-I	-34.4848	-46.9675	-366.305	-447.7573	93	20	7	13639	4	32	25
H-J	0.0	8.971	-0.1603	8.8107	8	0	0	34	0	2	4
H-L	0.0	8.3522	-0.1196	8.2327	10	0	0	34	0	0	4
I-J	-95.1178	36.5325	-412.304	-470.8893	119	23	11	16399	0	26	37
I-K	0.0	12.3545	-0.4149	11.9395	12	0	0	70	0	2	7
J-K	-55.1384	-52.4139	-371.309	-478.8613	92	18	8	13705	6	32	24
J-L	0.0	7.984	-0.0942	7.8898	10	0	0	28	0	2	6
K-L	-80.2169	16.7287	-398.901	-462.3892	124	19	13	17018	0	27	38

Interface residues

• A-B: ALA100A, ALA100B, ALA147A, ALA149A, ALA149B, ALA153A, ALA153B, ALA156A, ALA75A, ALA75B, ARG110A, ARG110B, ARG158A, ARG24A, ARG24B, ASN56A, ASN56B, ASN61B, ASP105A, ASP105B, ASP53A, ASP53B, GLN76A, GLN76B, GLU148A, GLU148B, GLU150A, GLU150B, GLU157A, GLU157B, GLU159A, GLU52A, GLU52B, GLU72A, GLU72B, GLY57A, GLY57B, GLY67A, GLY67B, GLY73A, GLY73B, HIS23A, HIS23B, HIS58A, HIS58B, ILE104A, ILE104B, ILE64A, ILE64B, ILE70A, ILE70B, ILE98A, ILE98B, LEU151A, LEU151B, LEU21A, LEU21B, LEU28A, LEU28B, LEU29A, LEU29B, LEU69A, LEU69B, LYS106A, LYS106B, LYS108A, LYS108B, LYS152A, LYS152B, LYS62A, LYS62B, LYS97A, MET102A, MET102B, MET154A, MET27A, MET27B, MET74A, MET74B, PHE101A, PHE101B, PHE109A, PHE109B, PHE55A, PHE55B, PHE59A, PHE59B, PHE65A, PHE65B, PRO112A, PRO112B, PRO22A, PRO22B, PRO26A, PRO26B, PRO60A, PRO60B, PRO63B, PRO66A, PRO66B, THR103A, THR103B, TYR25A, TYR25B, VAL107A, VAL107B, VAL54A, VAL54B, VAL68A, VAL68B, VAL71A, VAL71B, VAL99A, VAL99B
• A-C: ASN56A, ASN56C, ASP53A, ASP53C, GLU159A, GLU15C, GLY57A, PHE50C
• A-D: ASN56A, TYR25D
• A-E: ASN51A, ASN56A, ASN56E, ASP53A, ASP53E, GLN19A, GLU159E, GLU15A, GLY57E, PHE50A, PRO26E, TYR25A, TYR25E, VAL54E
• A-F: ARG118A, ARG118F, ARG24A, ARG24F, ARG32A, ARG32F, ASN47A, ASN47F, ASN51A, ASN51F, ASN56A, ASN56F, ASN61A, ASN61F, ASP117A, ASP117F, ASP142A, ASP142F, ASP31A, ASP31F, ASP53A, ASP53F, GLN19A, GLN19F, GLN76A, GLN76F, GLU15A, GLU15F, GLU52A, GLU52F, GLY116A, GLY116F, HIS23A, HIS23F, ILE14A, ILE14F, ILE17A, ILE17F, ILE48A, ILE48F, ILE64A, ILE64F, LEU119A, LEU119F, LEU18A, LEU18F, LEU28A, LEU28F, LEU29A, LEU29F, LEU69A, LEU69F, LYS46A, LYS46F, LYS62A, LYS62F, MET27A, MET27F, PHE13A, PHE13F, PHE50A, PHE50F, PHE55A, PHE55F, PHE59A, PHE59F, PHE65A, PHE65F, PRO112F, PRO115A, PRO115F, PRO26A, PRO26F, PRO60A, PRO60F, PRO63A, PRO63F, PRO66A, THR114A, THR114F, THR49A, THR49F, TYR121A, TYR25A, TYR25F, TYR45A, TYR45F, VAL113A, VAL113F, VAL141A, VAL141F, VAL30A, VAL30F, VAL54A, VAL54F
• B-C: ARG118B, ARG118C, ARG24B, ARG24C, ARG32B, ARG32C, ASN47B, ASN47C, ASN51B, ASN51C, ASN56B, ASN56C, ASN61B, ASN61C, ASP117B, ASP117C, ASP142B, ASP142C, ASP31B, ASP31C, ASP53B, ASP53C, GLN11C, GLN19B, GLN19C, GLN76B, GLN76C, GLU15B, GLU15C, GLU52B, GLU52C, GLY116B, GLY116C, HIS23B, HIS23C, ILE14B, ILE14C, ILE17B, ILE17C, ILE48B, ILE48C, ILE64B, ILE64C, LEU119B, LEU119C, LEU18B, LEU18C, LEU28B, LEU28C, LEU29B, LEU29C, LEU69B, LEU69C, LYS46B, LYS46C, LYS62B, LYS62C, MET27B, MET27C, PHE13B, PHE13C, PHE50B, PHE50C, PHE55B, PHE55C, PHE59C, PHE65B, PHE65C, PRO112B, PRO115B, PRO115C, PRO26B, PRO26C, PRO60B, PRO60C, PRO63B, PRO63C, PRO66B, THR114B, THR114C, THR49B, THR49C, TYR121C, TYR25B, TYR25C, TYR45B, TYR45C, VAL113B, VAL113C, VAL141B, VAL141C, VAL30B, VAL30C, VAL54B, VAL54C
• B-D: ASN51B, ASN56B, ASN56D, ASP53B, ASP53D, GLN19B, GLU159D, GLU15B, GLY57D, PHE50B, PRO26D, TYR25B, TYR25D, VAL54D
• B-F: ASN56B, ASN56F, ASP53B, ASP53F, GLY57B, PHE50F, PRO26B, TYR25B, TYR25F
• C-D: ALA100C, ALA100D, ALA147C, ALA149C, ALA149D, ALA153C, ALA153D, ALA156C, ALA75C, ALA75D, ARG110C, ARG110D, ARG158C, ARG158D, ARG24C, ARG24D, ASN56C, ASN56D, ASN61C, ASN61D, ASP105C, ASP105D, ASP53C, ASP53D, GLN76C, GLN76D, GLU148C, GLU148D, GLU150C, GLU150D, GLU157C, GLU157D, GLU159C, GLU159D, GLU52C, GLU52D, GLU72C, GLU72D, GLY57C, GLY57D, GLY67C, GLY67D, GLY73C, GLY73D, HIS23C, HIS23D, HIS58C, HIS58D, ILE104C, ILE104D, ILE64C, ILE64D, ILE70C, ILE70D, ILE98C, ILE98D, LEU151C, LEU151D, LEU21C, LEU21D, LEU28C, LEU28D, LEU29C, LEU29D, LEU69C, LEU69D, LYS106C, LYS106D, LYS108C, LYS108D, LYS152C, LYS152D, LYS62C, LYS62D, LYS95C, LYS95D, LYS97C, LYS97D, MET102C, MET102D, MET154C, MET154D, MET27C, MET27D, MET74C, MET74D, PHE101C, PHE101D, PHE109C, PHE109D, PHE55C, PHE55D, PHE59C, PHE59D, PHE65C, PHE65D, PHE83C, PRO112C, PRO112D, PRO22C, PRO22D, PRO26C, PRO26D, PRO60C, PRO60D, PRO63C, PRO63D, PRO66C, PRO66D, THR103C, THR103D, THR96C, TYR25C, TYR25D, VAL107C, VAL107D, VAL54C, VAL54D, VAL68C, VAL68D, VAL71C, VAL71D, VAL99C, VAL99D
• C-E: ARG158C, ASN51E, ASN56C, ASN56E, ASP53C, ASP53E, GLU159C, GLU15E, GLY57C, PHE50E, TYR25C, TYR25E
• D-E: ARG118D, ARG118E, ARG24D, ARG24E, ARG32D, ARG32E, ASN47D, ASN47E, ASN51D, ASN51E, ASN56D, ASN56E, ASN61D, ASN61E, ASP117D, ASP117E, ASP142D, ASP142E, ASP31D, ASP31E, ASP53D, ASP53E, GLN19D, GLN19E, GLN76D, GLU15D, GLU15E, GLU52D, GLU52E, GLY116D, GLY116E, HIS23D, HIS23E, ILE14D, ILE14E, ILE17D, ILE17E, ILE33D, ILE48D, ILE48E, ILE64D, ILE64E, LEU119D, LEU119E, LEU18D, LEU18E, LEU28D, LEU28E, LEU29D, LEU29E, LEU69D, LEU69E, LYS144E, LYS46D, LYS46E, LYS62D, LYS62E, LYS95D, MET27D, MET27E, PHE13D, PHE13E, PHE50D, PHE50E, PHE55D, PHE55E, PHE59D, PHE59E, PHE65D, PHE65E, PRO112E, PRO115D, PRO115E, PRO26D, PRO26E, PRO60D, PRO60E, PRO63D, PRO63E, PRO66E, THR114D, THR114E, THR49D, THR49E, TYR25D, TYR25E, TYR45D, TYR45E, VAL113D, VAL113E, VAL141D, VAL141E, VAL30D, VAL30E, VAL54D, VAL54E
• D-F: ARG158F, ASN56D, ASN56F, ASP53D, ASP53F, GLN19D, GLU159F, GLU15D, GLY57F, ILE98F, PHE50D, PRO26F, TYR25D, TYR25F
• E-F: ALA100E, ALA100F, ALA147E, ALA147F, ALA149E, ALA149F, ALA153E, ALA153F, ALA156E, ALA156F, ALA75E, ALA75F, ARG110E, ARG110F, ARG158E, ARG158F, ARG24E, ARG24F, ASN56E, ASN56F, ASN61E, ASN61F, ASP105E, ASP105F, ASP53E, ASP53F, GLN76E, GLN76F, GLU148E, GLU148F, GLU150E, GLU150F, GLU157E, GLU157F, GLU159E, GLU159F, GLU52E, GLU52F, GLU72E, GLU72F, GLY57E, GLY57F, GLY67E, GLY67F, GLY73E, GLY73F, HIS23E, HIS23F, HIS58E, HIS58F, ILE104E, ILE104F, ILE64E, ILE64F, ILE70E, ILE70F, ILE98E, ILE98F, LEU151E, LEU151F, LEU18E, LEU21E, LEU21F, LEU28E, LEU28F, LEU29E, LEU29F, LEU69E, LEU69F, LYS106E, LYS106F, LYS108E, LYS108F, LYS152E, LYS152F, LYS62E, LYS62F, LYS95F, LYS97E, LYS97F, MET102E, MET102F, MET27E, MET27F, MET74E, MET74F, PHE101E, PHE101F, PHE109E, PHE109F, PHE55E, PHE55F, PHE59E, PHE59F, PHE65E, PHE65F, PHE83E, PHE83F, PRO112E, PRO112F, PRO22E, PRO22F, PRO26E, PRO26F, PRO60E, PRO60F, PRO63E, PRO66E, PRO66F, THR103E, THR103F, TYR25E, TYR25F, VAL107E, VAL107F, VAL54E, VAL54F, VAL68E, VAL68F, VAL71E, VAL71F, VAL99E, VAL99F
• F-K: ALA139F, ARG110F, ARG110K, ASP142F, ASP142K, GLN140F, GLN140K, GLU120F, GLU120K, GLU148F, GLU148K, GLY143F, GLY143K, HIS122F, HIS122K, ILE111F, ILE111K, LYS144F, LYS144K, THR138F, THR138K, VAL141F, VAL141K, VAL145F, VAL145K, VAL146F
• G-H: ALA100G, ALA100H, ALA147G, ALA147H, ALA149G, ALA149H, ALA153G, ALA153H, ALA156G, ALA156H, ALA75G, ALA75H, ARG110G, ARG110H, ARG158G, ARG24G, ARG24H, ASN56G, ASN56H, ASN61G, ASN61H, ASP105G, ASP105H, ASP53G, ASP53H, GLN76G, GLN76H, GLU148G, GLU148H, GLU150G, GLU150H, GLU157G, GLU157H, GLU52G, GLU52H, GLU72G, GLU72H, GLY57G, GLY57H, GLY67G, GLY67H, GLY73G, GLY73H, HIS23G, HIS23H, HIS58G, HIS58H, ILE104G, ILE104H, ILE64G, ILE64H, ILE70G, ILE70H, ILE98G, ILE98H, LEU151G, LEU151H, LEU21G, LEU21H, LEU28G, LEU28H, LEU29G, LEU29H, LEU69G, LEU69H, LYS106G, LYS106H, LYS108G, LYS108H, LYS152G, LYS152H, LYS62G, LYS62H, LYS95G, LYS95H, LYS97G, MET102G, MET102H, MET27G, MET27H, MET74G, MET74H, PHE101G, PHE101H, PHE109G, PHE109H, PHE55G, PHE55H, PHE59G, PHE59H, PHE65G, PHE65H, PHE83G, PRO112G, PRO112H, PRO22G, PRO22H, PRO26G, PRO26H, PRO60G, PRO60H, PRO63H, PRO66G, PRO66H, THR103G, THR103H, TYR25G, TYR25H, VAL107G, VAL107H, VAL54G, VAL54H, VAL68G, VAL68H, VAL71G, VAL71H, VAL99G, VAL99H
• G-I: ARG158G, ASN51I, ASN56G, ASN56I, ASP53G, ASP53I, GLU15I, GLY57G, PHE50I, PRO26G, TYR25G, TYR25I
• G-K: ARG158K, ASN51G, ASN56G, ASN56K, ASP53G, ASP53K, GLN19G, GLU159K, GLU15G, GLY57K, PHE50G, PRO26K, TYR25G, TYR25K
• G-L: ARG118G, ARG118L, ARG24G, ARG24L, ARG32G, ARG32L, ASN47G, ASN47L, ASN51G, ASN51L, ASN56G, ASN56L, ASN61G, ASN61L, ASP117G, ASP117L, ASP142G, ASP142L, ASP31G, ASP31L, ASP53G, ASP53L, GLN19G, GLN19L, GLU15G, GLU15L, GLU52G, GLU52L, GLY116G, GLY116L, HIS16G, HIS23G, HIS23L, ILE14G, ILE14L, ILE17G, ILE17L, ILE48G, ILE48L, ILE64G, ILE64L, LEU119G, LEU119L, LEU18G, LEU18L, LEU28G, LEU28L, LEU29G, LEU29L, LEU69G, LEU69L, LYS46G, LYS46L, LYS62G, LYS62L, MET27G, MET27L, PHE13G, PHE13L, PHE50G, PHE50L, PHE55G, PHE55L, PHE59G, PHE59L, PHE65G, PHE65L, PRO112G, PRO112L, PRO115G, PRO115L, PRO26G, PRO26L, PRO60G, PRO60L, PRO63G, PRO63L, THR114G, THR114L, THR49G, THR49L, TYR25G, TYR25L, TYR45G, TYR45L, VAL113G, VAL113L, VAL141G, VAL141L, VAL30G, VAL30L, VAL54G, VAL54L
• H-I: ARG118H, ARG118I, ARG24H, ARG24I, ARG32H, ARG32I, ASN47H, ASN47I, ASN51H, ASN51I, ASN56H, ASN56I, ASN61H, ASN61I, ASP117H, ASP117I, ASP142H, ASP142I, ASP31H, ASP31I, ASP53H, ASP53I, GLN19I, GLN76H, GLU15H, GLU15I, GLU52H, GLU52I, GLY116H, GLY116I, HIS23H, HIS23I, ILE14H, ILE14I, ILE17H, ILE17I, ILE48H, ILE48I, ILE64H, ILE64I, LEU119H, LEU119I, LEU18H, LEU18I, LEU28H, LEU28I, LEU29H, LEU29I, LEU69H, LEU69I, LYS46H, LYS46I, LYS62H, LYS62I, MET27H, MET27I, PHE13H, PHE13I, PHE50H, PHE50I, PHE55H, PHE55I, PHE59H, PHE65H, PHE65I, PRO112H, PRO115H, PRO115I, PRO26H, PRO26I, PRO60H, PRO60I, PRO63H, PRO63I, PRO66I, THR114H, THR114I, THR49H, THR49I, TYR121H, TYR121I, TYR25H, TYR25I, TYR45H, TYR45I, VAL113H, VAL113I, VAL141H, VAL141I, VAL30H, VAL30I, VAL54H, VAL54I
• H-J: ASN56H, ASN56J, ASP53H, ASP53J, GLY57J, PHE50H, PRO26J, TYR25H
• H-L: ASN51L, ASN56H, ASN56L, ASP53H, ASP53L, GLY57H, PHE50L, PRO26H, TYR25H, TYR25L
• I-J: ALA100I, ALA100J, ALA147I, ALA147J, ALA149I, ALA149J, ALA153I, ALA153J, ALA156I, ALA156J, ALA75I, ALA75J, ARG110I, ARG110J, ARG158I, ARG158J, ARG24I, ARG24J, ASN56I, ASN56J, ASN61I, ASN61J, ASP105I, ASP105J, ASP53I, ASP53J, GLN76I, GLN76J, GLU148I, GLU148J, GLU150I, GLU150J, GLU157I, GLU157J, GLU159I, GLU159J, GLU52I, GLU52J, GLU72I, GLU72J, GLY57I, GLY57J, GLY67I, GLY67J, GLY73I, GLY73J, HIS23I, HIS23J, HIS58I, HIS58J, ILE104I, ILE104J, ILE111J, ILE64I, ILE64J, ILE70I, ILE70J, ILE98I, ILE98J, LEU151I, LEU151J, LEU21I, LEU21J, LEU28I, LEU28J, LEU29I, LEU29J, LEU69I, LEU69J, LYS106I, LYS106J, LYS108I, LYS108J, LYS152I, LYS152J, LYS62I, LYS62J, LYS97I, MET102I, MET102J, MET27I, MET27J, MET74I, MET74J, PHE101I, PHE101J, PHE109I, PHE109J, PHE55I, PHE55J, PHE59I, PHE59J, PHE65I, PHE65J, PRO112J, PRO22I, PRO22J, PRO26I, PRO26J, PRO60I, PRO60J, PRO63I, PRO63J, PRO66I, PRO66J, THR103I, THR103J, TYR25I, TYR25J, VAL107I, VAL107J, VAL54I, VAL54J, VAL68I, VAL68J, VAL71I, VAL71J, VAL99I, VAL99J
• I-K: ARG158I, ASN56I, ASN56K, ASP53I, ASP53K, GLN19K, GLU159I, GLU15K, GLY57I, PHE50K, TYR25I, TYR25K
• J-K: ARG118J, ARG118K, ARG24J, ARG24K, ARG32J, ARG32K, ASN47J, ASN47K, ASN51J, ASN51K, ASN56J, ASN56K, ASN61J, ASN61K, ASP117J, ASP117K, ASP142J, ASP142K, ASP31J, ASP31K, ASP53J, ASP53K, GLN19K, GLN76J, GLN76K, GLU15J, GLU15K, GLU52J, GLU52K, GLY116J, GLY116K, HIS23J, HIS23K, ILE14J, ILE14K, ILE17J, ILE17K, ILE48J, ILE48K, ILE64J, ILE64K, LEU119J, LEU119K, LEU18J, LEU18K, LEU28J, LEU28K, LEU29J, LEU29K, LEU69J, LEU69K, LYS46J, LYS46K, LYS62J, LYS62K, MET27J, MET27K, PHE13J, PHE13K, PHE50J, PHE50K, PHE55J, PHE55K, PHE59J, PHE59K, PHE65J, PHE65K, PRO115J, PRO115K, PRO26J, PRO26K, PRO60J, PRO60K, PRO63J, PRO63K, PRO66J, THR114J, THR114K, THR49J, THR49K, TYR25J, TYR25K, TYR45J, TYR45K, VAL113J, VAL113K, VAL141J, VAL141K, VAL30J, VAL30K, VAL54J, VAL54K
• J-L: ASN51J, ASN56J, ASN56L, ASP53J, ASP53L, GLY57L, PHE50J, PRO26L, TYR25J, TYR25L
• K-L: ALA100K, ALA100L, ALA147K, ALA147L, ALA149K, ALA149L, ALA153K, ALA153L, ALA156K, ALA156L, ALA75K, ALA75L, ARG110K, ARG110L, ARG158K, ARG158L, ARG24K, ARG24L, ASN56K, ASN56L, ASN61K, ASN61L, ASP105K, ASP105L, ASP53K, ASP53L, GLN76K, GLN76L, GLU148K, GLU148L, GLU150K, GLU150L, GLU157K, GLU157L, GLU159K, GLU159L, GLU52K, GLU52L, GLU72K, GLU72L, GLY57K, GLY57L, GLY67K, GLY67L, GLY73K, GLY73L, HIS23K, HIS23L, HIS58K, HIS58L, ILE104K, ILE104L, ILE64K, ILE64L, ILE70K, ILE70L, ILE98K, ILE98L, LEU151K, LEU151L, LEU21K, LEU21L, LEU28K, LEU28L, LEU29K, LEU29L, LEU69K, LEU69L, LYS106K, LYS106L, LYS108K, LYS108L, LYS152K, LYS152L, LYS62K, LYS62L, LYS95K, LYS95L, LYS97K, LYS97L, MET102K, MET102L, MET154K, MET27K, MET27L, MET74K, MET74L, PHE101K, PHE101L, PHE109K, PHE109L, PHE55K, PHE55L, PHE59K, PHE59L, PHE65K, PHE65L, PHE83K, PHE83L, PRO112K, PRO112L, PRO22K, PRO22L, PRO26K, PRO26L, PRO60K, PRO60L, PRO63L, PRO66K, PRO66L, THR103K, THR103L, TYR25K, TYR25L, VAL107K, VAL107L, VAL54K, VAL54L, VAL68K, VAL68L, VAL71K, VAL71L, VAL99K, VAL99L